\n",
" \n",
" | 1528353 | \n",
" CHEMBL3706284 | \n",
" 98 | \n",
" Radioligand Binding Assay: HEK293 stably expressing human orexin 2 receptor (Genebank accession numberNM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022) , 10%FBS, IX Pen/Strep, IX NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phoshpate Buffered Saline IX with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4°C), the supernatant was aspirated and the pellets frozen and stored at -80°C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity = 29.6 Ci/mmol). | \n",
"
\n",
" \n",
" | 1527605 | \n",
" CHEMBL3705289 | \n",
" 97 | \n",
" Binding assay: Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline was used at a concentration equal to the calculated Kd value of 60 nM to give a bound at around 0.1% of the total added radioligand concentration, and a specific binding which represented approximately 70-80% of the total binding. Non-specific binding was defined as the amount of [3H]-rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline bound in the presence of the appropriate unlabelled ligand (10 μM). Competing ligands were tested in a wide range of concentrations (10 μM-30 μM). The final dimethylsulphoxide concentration in the assay was 2%, and it did not affect radioligand binding. | \n",
"
\n",
" \n",
" | 1537148 | \n",
" CHEMBL3734283 | \n",
" 97 | \n",
" Inhibition of human GRK2 after 90 to 120 mins by Kinase-Glo assay | \n",
"
\n",
" \n",
" | 1535508 | \n",
" CHEMBL3707832 | \n",
" 95 | \n",
" Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein/well (D2, D3) and 15 ug protein/well (5-HT2A), respectively.The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 uM-0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. | \n",
"
\n",
" \n",
" | 1547124 | \n",
" CHEMBL3755859 | \n",
" 95 | \n",
" Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD | \n",
"
\n",
" \n",
" | 1528370 | \n",
" CHEMBL3705383 | \n",
" 95 | \n",
" Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein/well (D2, D3) and 15 ug protein/well (5-HT2A), respectively.The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 uM-0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. | \n",
"
\n",
" \n",
" | 1535361 | \n",
" CHEMBL3707859 | \n",
" 95 | \n",
" Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein/well (D2, D3) and 15 ug protein/well (5-HT2A), respectively.The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 uM-0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. | \n",
"
\n",
" \n",
" | 444873 | \n",
" CHEMBL894022 | \n",
" 94 | \n",
" Inhibition of human recombinant MetAP2 | \n",
"
\n",
" \n",
" | 1613477 | \n",
" CHEMBL3855277 | \n",
" 94 | \n",
" Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting | \n",
"
\n",
" \n",
" | 1528694 | \n",
" CHEMBL3705468 | \n",
" 94 | \n",
" Radioligand Binding Assay: Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 uL. CHO cell membranes stably expressing either the hM1, hM2, hM3, hM4 or hM5 muscarinic subtype were diluted in assay buffer to the following specific target protein concentrations (ug/well): 10 ug for hM1, 10-15 ug for hM2, 10-20 ug for hM3, 10-20 ug for hM4, and 10-12 ug for hM5 to get similar signals (cpm). The membranes were briefly homogenized using a Polytron tissue disruptor (10 seconds) prior to assay plate addition.Saturation binding studies for determining KD values of the radioligand were performed using L-[N-methyl-3H]scopolamine methyl chloride ([3H]-NMS) (TRK666, 84.0 Ci/mmol, Amersham Pharmacia Biotech, Buckinghamshire, England) at concentrations ranging from 0.001 nM to 20 nM.Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM. | \n",
"
\n",
" \n",
" | 1613478 | \n",
" CHEMBL3855278 | \n",
" 93 | \n",
" Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes coexpressing Galpha16 after 120 mins by liquid scintillation counting | \n",
"
\n",
" \n",
" | 464889 | \n",
" CHEMBL949088 | \n",
" 92 | \n",
" Inhibition of rat recombinant FAAH expressed in Escherichia coli | \n",
"
\n",
" \n",
" | 1527832 | \n",
" CHEMBL3705059 | \n",
" 92 | \n",
" Radioligand Binding Assay: Radioligand binding assay using muscarinic receptors. | \n",
"
\n",
" \n",
" | 437192 | \n",
" CHEMBL906590 | \n",
" 92 | \n",
" Displacement of [125I]MCH from MCHR1 expressed in CHO cells | \n",
"
\n",
" \n",
" | 302650 | \n",
" CHEMBL839940 | \n",
" 92 | \n",
" Binding affinity for human glycogen synthase kinase 3 beta | \n",
"
\n",
" \n",
" | 302524 | \n",
" CHEMBL827377 | \n",
" 91 | \n",
" Binding affinity for human cyclin-dependent kinase 2 | \n",
"
\n",
" \n",
" | 303563 | \n",
" CHEMBL828963 | \n",
" 91 | \n",
" Inhibition of [125I]eotaxin-1 binding to human chemokine receptor (hCCR3-C1) | \n",
"
\n",
" \n",
" | 213236 | \n",
" CHEMBL821446 | \n",
" 88 | \n",
" Binding affinity towards trypsin | \n",
"
\n",
" \n",
" | 1528352 | \n",
" CHEMBL3706283 | \n",
" 88 | \n",
" Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor(Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, IX Pen/Strep, IX sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #1 1039), 10%FBS, IX Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phoshpate Buffered Saline IX with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4 C), the supernatant was aspirated and the pellets frozen and stored at -80C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #1 1836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL. | \n",
"
\n",
" \n",
" | 1537103 | \n",
" CHEMBL3734209 | \n",
" 88 | \n",
" Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method | \n",
"
\n",
" \n",
" | 1535076 | \n",
" CHEMBL3707804 | \n",
" 88 | \n",
" Radioligand Binding Assay: liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein / well (D2, D3) and 15 ug protein / well (5-HT2A), respectively.The binding affinity (IQ) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H] -spiperone for D2, 0.5 nM [3H] -spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10uM - 0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. | \n",
"
\n",
" \n",
" | 1535965 | \n",
" CHEMBL3707598 | \n",
" 88 | \n",
" Radioligand Binding Assay: liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein / well (D2, D3) and 15 ug protein / well (5-HT2A), respectively.The binding affinity (IQ) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H] -spiperone for D2, 0.5 nM [3H] -spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10uM - 0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. | \n",
"
\n",
" \n",
" | 1528654 | \n",
" CHEMBL3706129 | \n",
" 87 | \n",
" Radioligand Binding Assay: liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein / well (D2, D3) and 15 ug protein / well (5-HT2A), respectively.The binding affinity (IQ) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H] -spiperone for D2, 0.5 nM [3H] -spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10uM - 0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. | \n",
"
\n",
" \n",
" | 303638 | \n",
" CHEMBL828848 | \n",
" 86 | \n",
" Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli | \n",
"
\n",
" \n",
" | 1620948 | \n",
" CHEMBL3863231 | \n",
" 86 | \n",
" Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis | \n",
"
\n",
" \n",
" | 1332011 | \n",
" CHEMBL3223904 | \n",
" 85 | \n",
" Antagonist activity at human adenosine A1 receptor expressed in CHO-K1 cells preincubated for 15 mins before r-PIA addition measured after 5.5 to 6 hrs by beta-galactosidase reporter gene assay | \n",
"
\n",
" \n",
" | 1637967 | \n",
" CHEMBL3881028 | \n",
" 85 | \n",
" Inhibition of full length human C-terminal 6His-tagged CHK1 expressed in baculovirus/insect expression system assessed as reduction in NADH oxidation using Syntide2 as substrate by pyruvate kinase/lactate dehydrogenase coupled assay | \n",
"
\n",
" \n",
" | 304044 | \n",
" CHEMBL840221 | \n",
" 85 | \n",
" Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593 | \n",
"
\n",
" \n",
" | 304036 | \n",
" CHEMBL840214 | \n",
" 84 | \n",
" Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO | \n",
"
\n",
" \n",
" | 303375 | \n",
" CHEMBL839693 | \n",
" 84 | \n",
" Binding affinity for human tachykinin receptor 2 was measured by using [125I]NKA as radio ligand | \n",
"
\n",
" \n",
" | 609034 | \n",
" CHEMBL1064501 | \n",
" 84 | \n",
" Inhibition of human P2Y12 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 444902 | \n",
" CHEMBL894050 | \n",
" 82 | \n",
" Inhibition of ENT1 in human K562 cells by flow cytometric assay | \n",
"
\n",
" \n",
" | 1366808 | \n",
" CHEMBL3297243 | \n",
" 82 | \n",
" Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation counting analysis | \n",
"
\n",
" \n",
" | 1366806 | \n",
" CHEMBL3297241 | \n",
" 82 | \n",
" Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis | \n",
"
\n",
" \n",
" | 1366807 | \n",
" CHEMBL3297242 | \n",
" 82 | \n",
" Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analysis | \n",
"
\n",
" \n",
" | 1366809 | \n",
" CHEMBL3297244 | \n",
" 82 | \n",
" Displacement of [3H]N-methylspiperone from human recombinant D2 receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation counting analysis | \n",
"
\n",
" \n",
" | 1659425 | \n",
" CHEMBL4009037 | \n",
" 81 | \n",
" Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins | \n",
"
\n",
" \n",
" | 418719 | \n",
" CHEMBL912951 | \n",
" 80 | \n",
" Displacement of [125I]CCK-8S from human CCK2R | \n",
"
\n",
" \n",
" | 981861 | \n",
" CHEMBL2427556 | \n",
" 80 | \n",
" Binding affinity to human adenosine A3 receptor | \n",
"
\n",
" \n",
" | 1535759 | \n",
" CHEMBL3707774 | \n",
" 79 | \n",
" Radioligand Binding: The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=25-35 Ci/mmol) was obtained from Tocris. The binding of [3H]MLA was determined using a 2 h incubation at 21 C. Incubations were conducted in 48-well micro-titre plates and contained about 200 μg of protein per well in a final incubation volume of 300 uL. The incubation buffer was PBS and the final concentration of [3H]MLA was 5 nM. The binding reaction was terminated by filtration of the protein containing bound ligand onto glass fiber filters (GF/B, Brandel) using a Brandel Tissue Harvester at room temperature. Filters were soaked in de-ionized water containing 0.33% polyethyleneimine to reduce non-specific binding. Each filter was washed with PBS (3x1 mL) at room temperature. Non-specific binding was determined by inclusion of 50 uM non-radioactive MLA in selected wells. | \n",
"
\n",
" \n",
" | 429601 | \n",
" CHEMBL919033 | \n",
" 79 | \n",
" Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane | \n",
"
\n",
" \n",
" | 1528657 | \n",
" CHEMBL3706132 | \n",
" 79 | \n",
" Radioligand Binding: The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=25-35 Ci/mmol) was obtained from Tocris. The binding of [3H]MLA was determined using a 2 h incubation at 21 C. Incubations were conducted in 48-well micro-titre plates and contained about 200 μg of protein per well in a final incubation volume of 300 uL. The incubation buffer was PBS and the final concentration of [3H]MLA was 5 nM. The binding reaction was terminated by filtration of the protein containing bound ligand onto glass fiber filters (GF/B, Brandel) using a Brandel Tissue Harvester at room temperature. Filters were soaked in de-ionized water containing 0.33% polyethyleneimine to reduce non-specific binding. Each filter was washed with PBS (3x1 mL) at room temperature. Non-specific binding was determined by inclusion of 50 uM non-radioactive MLA in selected wells. | \n",
"
\n",
" \n",
" | 583010 | \n",
" CHEMBL1051848 | \n",
" 79 | \n",
" Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting | \n",
"
\n",
" \n",
" | 1527942 | \n",
" CHEMBL3705629 | \n",
" 79 | \n",
" Biochemical Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells. | \n",
"
\n",
" \n",
" | 429600 | \n",
" CHEMBL919032 | \n",
" 79 | \n",
" Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane | \n",
"
\n",
" \n",
" | 1535083 | \n",
" CHEMBL3707825 | \n",
" 79 | \n",
" Biochemical Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells. | \n",
"
\n",
" \n",
" | 1535448 | \n",
" CHEMBL3707696 | \n",
" 79 | \n",
" Biochemical Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells. | \n",
"
\n",
" \n",
" | 1527798 | \n",
" CHEMBL3705339 | \n",
" 78 | \n",
" Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM). | \n",
"
\n",
" \n",
" | 1637416 | \n",
" CHEMBL3880477 | \n",
" 78 | \n",
" Displacement of [3H]-2-[4-(3-azidophenyl)-2-oxo-1-pyrrolidinyl]butanamide from SV2A levetiracetam binding site in Sprague-Dawley rat cerebral cortex membranes after 120 mins by liquid scintillation counting method | \n",
"
\n",
" \n",
" | 880272 | \n",
" CHEMBL2215850 | \n",
" 78 | \n",
" Displacement of [125I]-CXCL10 from human CXCR3 expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 1534795 | \n",
" CHEMBL3707798 | \n",
" 77 | \n",
" Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 μg protein/well (D2, D3) and 15 μg protein/well (5-HT2A), respectively. The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 μl with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 μM-0.1 nM for 1 h at RT. | \n",
"
\n",
" \n",
" | 1638066 | \n",
" CHEMBL3881127 | \n",
" 77 | \n",
" Inhibition of recombinant MCH5 (unknown origin) pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay | \n",
"
\n",
" \n",
" | 1638064 | \n",
" CHEMBL3881125 | \n",
" 77 | \n",
" Inhibition of recombinant MCH2 (unknown origin) pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay | \n",
"
\n",
" \n",
" | 1638062 | \n",
" CHEMBL3881123 | \n",
" 77 | \n",
" Inhibition of recombinant CPP32 (unknown origin) pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay | \n",
"
\n",
" \n",
" | 1638060 | \n",
" CHEMBL3881121 | \n",
" 77 | \n",
" Inhibition of mouse recombinant ICE pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay | \n",
"
\n",
" \n",
" | 418718 | \n",
" CHEMBL913512 | \n",
" 77 | \n",
" Displacement of [125I]CCK-8S from human CCK1R | \n",
"
\n",
" \n",
" | 471789 | \n",
" CHEMBL939997 | \n",
" 77 | \n",
" Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 1535789 | \n",
" CHEMBL3707837 | \n",
" 77 | \n",
" Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 μg protein/well (D2, D3) and 15 μg protein/well (5-HT2A), respectively. The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 μl with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 μM-0.1 nM for 1 h at RT. | \n",
"
\n",
" \n",
" | 855538 | \n",
" CHEMBL2162843 | \n",
" 77 | \n",
" Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr | \n",
"
\n",
" \n",
" | 1528852 | \n",
" CHEMBL3706025 | \n",
" 77 | \n",
" In Vitro Assay: The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. | \n",
"
\n",
" \n",
" | 1528054 | \n",
" CHEMBL3705361 | \n",
" 77 | \n",
" Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 μg protein/well (D2, D3) and 15 μg protein/well (5-HT2A), respectively. The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 μl with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 μM-0.1 nM for 1 h at RT. | \n",
"
\n",
" \n",
" | 743931 | \n",
" CHEMBL1767925 | \n",
" 76 | \n",
" Inhibition of full-length human FAAH expressed in COS-7 cells assessed as [14C]-labeled oleamide to oleic acid conversion | \n",
"
\n",
" \n",
" | 1699615 | \n",
" CHEMBL4050597 | \n",
" 75 | \n",
" Inhibition of recombinant human furin expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method | \n",
"
\n",
" \n",
" | 55071 | \n",
" CHEMBL668388 | \n",
" 75 | \n",
" Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) | \n",
"
\n",
" \n",
" | 53631 | \n",
" CHEMBL666660 | \n",
" 75 | \n",
" Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR) | \n",
"
\n",
" \n",
" | 634304 | \n",
" CHEMBL1120717 | \n",
" 75 | \n",
" Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor | \n",
"
\n",
" \n",
" | 634305 | \n",
" CHEMBL1120718 | \n",
" 75 | \n",
" Displacement of [3H]N-alpha-methylhistamine from rat cloned histamine H3 receptor | \n",
"
\n",
" \n",
" | 634306 | \n",
" CHEMBL1120719 | \n",
" 75 | \n",
" Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 1636657 | \n",
" CHEMBL3879555 | \n",
" 75 | \n",
" Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mins by spectrophotometric method | \n",
"
\n",
" \n",
" | 303258 | \n",
" CHEMBL826384 | \n",
" 75 | \n",
" Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 513112 | \n",
" CHEMBL973601 | \n",
" 75 | \n",
" Binding affinity to human MC4 receptor | \n",
"
\n",
" \n",
" | 1699614 | \n",
" CHEMBL4050596 | \n",
" 75 | \n",
" Inhibition of recombinant human PACE4 expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method | \n",
"
\n",
" \n",
" | 1527621 | \n",
" CHEMBL3705078 | \n",
" 75 | \n",
" Radioligand Binding Assay: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 μM unlabeled ligand. | \n",
"
\n",
" \n",
" | 1528160 | \n",
" CHEMBL3705369 | \n",
" 74 | \n",
" Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 μL) mixed with 200 mM Tris-HCl buffer (pH 8.0), and human trypsin (Sigma, 25 μL) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 355 nm and fluorescence wavelength 460 nm. | \n",
"
\n",
" \n",
" | 447824 | \n",
" CHEMBL898074 | \n",
" 74 | \n",
" Inhibition of human factor 10a | \n",
"
\n",
" \n",
" | 1527780 | \n",
" CHEMBL3705314 | \n",
" 74 | \n",
" Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors. | \n",
"
\n",
" \n",
" | 1528161 | \n",
" CHEMBL3705370 | \n",
" 74 | \n",
" Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme substrate (Gly-Asp-Asp-Asp-Asp-Lys-β-Naphtylamide, 25 μL) were mixed, and recombinant human enteropeptidase (R&D Systems, Inc., 25 μL) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 320 nm and fluorescence wavelength 405 nm. | \n",
"
\n",
" \n",
" | 585133 | \n",
" CHEMBL1060022 | \n",
" 74 | \n",
" Binding affinity to human recombinant P2Y12 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 1527622 | \n",
" CHEMBL3705079 | \n",
" 74 | \n",
" Radioligand Binding Assay: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 μM unlabeled ligand. | \n",
"
\n",
" \n",
" | 371466 | \n",
" CHEMBL864183 | \n",
" 74 | \n",
" Displacement of [3H]progesterone from Progesterone receptor | \n",
"
\n",
" \n",
" | 1528930 | \n",
" CHEMBL3705777 | \n",
" 73 | \n",
" Radioligand Binding Assay: Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a final volume of 500 uL binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by three filtration washes with 500 uL ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hrs. Fifty L/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count. | \n",
"
\n",
" \n",
" | 458669 | \n",
" CHEMBL942952 | \n",
" 73 | \n",
" Displacement of [12]NDPMSH from human MC4R expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 1536128 | \n",
" CHEMBL3707656 | \n",
" 73 | \n",
" Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor(Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, IX Pen/Strep, IX sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #1 1039), 10%FBS, IX Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phoshpate Buffered Saline IX with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4 C), the supernatant was aspirated and the pellets frozen and stored at -80C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #1 1836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL. | \n",
"
\n",
" \n",
" | 54734 | \n",
" CHEMBL667185 | \n",
" 73 | \n",
" Negative logarithm of inhibition constant (-log Ki) against Dihydrofolate reductase in Escherichia coli | \n",
"
\n",
" \n",
" | 320876 | \n",
" CHEMBL884801 | \n",
" 73 | \n",
" Displacement of [3H]LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells | \n",
"
\n",
" \n",
" | 1522886 | \n",
" CHEMBL3630759 | \n",
" 72 | \n",
" Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay | \n",
"
\n",
" \n",
" | 861906 | \n",
" CHEMBL2173634 | \n",
" 72 | \n",
" Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter | \n",
"
\n",
" \n",
" | 1644378 | \n",
" CHEMBL3993307 | \n",
" 72 | \n",
" Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measured every min for 30 mins | \n",
"
\n",
" \n",
" | 54735 | \n",
" CHEMBL667186 | \n",
" 72 | \n",
" Inhibition constant against binding of Escherichia coli dihydrofolate reductase | \n",
"
\n",
" \n",
" | 303552 | \n",
" CHEMBL828952 | \n",
" 71 | \n",
" Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus | \n",
"
\n",
" \n",
" | 570539 | \n",
" CHEMBL1026911 | \n",
" 71 | \n",
" Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay | \n",
"
\n",
" \n",
" | 570538 | \n",
" CHEMBL1026910 | \n",
" 71 | \n",
" Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay | \n",
"
\n",
" \n",
" | 54926 | \n",
" CHEMBL667222 | \n",
" 71 | \n",
" Inhibitory activity against Lactobacillus casei dihydrofolate reductase | \n",
"
\n",
" \n",
" | 53614 | \n",
" CHEMBL661844 | \n",
" 71 | \n",
" Inhibitory activity against chicken liver dihydrofolate reductase | \n",
"
\n",
" \n",
" | 304043 | \n",
" CHEMBL877110 | \n",
" 70 | \n",
" Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate | \n",
"
\n",
" \n",
" | 588710 | \n",
" CHEMBL1059319 | \n",
" 70 | \n",
" Inhibition of human PIM1 by scintillation counting | \n",
"
\n",
" \n",
" | 588709 | \n",
" CHEMBL1059318 | \n",
" 70 | \n",
" Inhibition of human PIM2 by scintillation counting | \n",
"
\n",
" \n",
" | 828300 | \n",
" CHEMBL2050319 | \n",
" 70 | \n",
" Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells | \n",
"
\n",
" \n",
" | 605406 | \n",
" CHEMBL1073400 | \n",
" 70 | \n",
" Displacement of radioligand from human adenosine A1 receptor expressed in cells by topcount microplate scintillation counting | \n",
"
\n",
" \n",
" | 605405 | \n",
" CHEMBL1073399 | \n",
" 70 | \n",
" Displacement of radioligand from human adenosine A2A receptor expressed in cells by topcount microplate scintillation counting | \n",
"
\n",
" \n",
" | 596087 | \n",
" CHEMBL1040875 | \n",
" 69 | \n",
" Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 596088 | \n",
" CHEMBL1040876 | \n",
" 69 | \n",
" Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 478840 | \n",
" CHEMBL925727 | \n",
" 69 | \n",
" Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 934321 | \n",
" CHEMBL2320307 | \n",
" 69 | \n",
" Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence polarization anisotropy assay | \n",
"
\n",
" \n",
" | 212325 | \n",
" CHEMBL818251 | \n",
" 68 | \n",
" Inhibitory constant against bovine trypsin for general specificity against serine proteases | \n",
"
\n",
" \n",
" | 877370 | \n",
" CHEMBL2182415 | \n",
" 68 | \n",
" Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 540740 | \n",
" CHEMBL1030622 | \n",
" 68 | \n",
" Displacement of [125I]nociceptin from human NOP expressed in CHO cells | \n",
"
\n",
" \n",
" | 1572912 | \n",
" CHEMBL3801235 | \n",
" 68 | \n",
" Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubated for 1 hr followed CCL25 addition by FLIPR assay | \n",
"
\n",
" \n",
" | 304008 | \n",
" CHEMBL877109 | \n",
" 68 | \n",
" Binding affinity towards Acetylcholinesterase | \n",
"
\n",
" \n",
" | 471788 | \n",
" CHEMBL939996 | \n",
" 68 | \n",
" Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 960514 | \n",
" CHEMBL2389489 | \n",
" 67 | \n",
" Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay | \n",
"
\n",
" \n",
" | 540741 | \n",
" CHEMBL1030623 | \n",
" 67 | \n",
" Displacement of [125I]diprenorphine from human DOP expressed in CHO cells | \n",
"
\n",
" \n",
" | 461138 | \n",
" CHEMBL944161 | \n",
" 67 | \n",
" Displacement of [3H]raclopride from rat dopamine D2 receptor | \n",
"
\n",
" \n",
" | 479714 | \n",
" CHEMBL921474 | \n",
" 67 | \n",
" Binding affinity at human adenosine A1 receptor | \n",
"
\n",
" \n",
" | 159136 | \n",
" CHEMBL769512 | \n",
" 67 | \n",
" Inhibitory activity against HIV-1 protease | \n",
"
\n",
" \n",
" | 540742 | \n",
" CHEMBL1030624 | \n",
" 67 | \n",
" Displacement of [125I]diprenorphine from human KOP expressed in CHO cells | \n",
"
\n",
" \n",
" | 1653671 | \n",
" CHEMBL4003037 | \n",
" 67 | \n",
" Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measured after 15 mins by fluorescence polarization assay | \n",
"
\n",
" \n",
" | 479713 | \n",
" CHEMBL921473 | \n",
" 67 | \n",
" Binding affinity at human adenosine A2A receptor | \n",
"
\n",
" \n",
" | 540743 | \n",
" CHEMBL1030625 | \n",
" 67 | \n",
" Displacement of [125I]diprenorphine from human MOP expressed in CHO cells | \n",
"
\n",
" \n",
" | 1527882 | \n",
" CHEMBL3705126 | \n",
" 66 | \n",
" Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection. | \n",
"
\n",
" \n",
" | 1528915 | \n",
" CHEMBL3705621 | \n",
" 66 | \n",
" Binding Assay: Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI accession NM022938). Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assays using 5-carboxamido[3H]tryptamine ([3H]5-CT) (Amersham Biosciences, cat. 90000403) detection. HitHunter cAMP assays are in-vitro based competitive immunoassays. The assay was performed on the HEK-293 cell line stably transfected with r5-HT7 receptor. Cells were pre-incubated with test compounds for 10 minutes. | \n",
"
\n",
" \n",
" | 1688140 | \n",
" CHEMBL4038710 | \n",
" 66 | \n",
" Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin induced calcium influx pretreated for 6 mins followed by capsaicin addition by Fluo-4/Pluronic F127 probe based FLIPR method | \n",
"
\n",
" \n",
" | 466158 | \n",
" CHEMBL950162 | \n",
" 66 | \n",
" Displacement of [3H]dexamethasone from human recombinant GR | \n",
"
\n",
" \n",
" | 1653672 | \n",
" CHEMBL4003038 | \n",
" 66 | \n",
" Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDMX (1 to 134 residues) measured after 15 mins by fluorescence polarization assay | \n",
"
\n",
" \n",
" | 1577550 | \n",
" CHEMBL3807026 | \n",
" 66 | \n",
" Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis | \n",
"
\n",
" \n",
" | 1561630 | \n",
" CHEMBL3776607 | \n",
" 65 | \n",
" Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter method | \n",
"
\n",
" \n",
" | 946059 | \n",
" CHEMBL2342096 | \n",
" 65 | \n",
" Inhibition of human carbonic anhydrase-12 | \n",
"
\n",
" \n",
" | 946060 | \n",
" CHEMBL2342097 | \n",
" 65 | \n",
" Inhibition of human carbonic anhydrase-9 | \n",
"
\n",
" \n",
" | 946061 | \n",
" CHEMBL2342098 | \n",
" 65 | \n",
" Inhibition of human carbonic anhydrase-2 | \n",
"
\n",
" \n",
" | 302499 | \n",
" CHEMBL828215 | \n",
" 65 | \n",
" Binding affinity against bovine trypsin | \n",
"
\n",
" \n",
" | 1459806 | \n",
" CHEMBL3371192 | \n",
" 65 | \n",
" Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 946062 | \n",
" CHEMBL2342099 | \n",
" 65 | \n",
" Inhibition of human carbonic anhydrase-1 | \n",
"
\n",
" \n",
" | 429507 | \n",
" CHEMBL918630 | \n",
" 65 | \n",
" Inhibition of human BChE | \n",
"
\n",
" \n",
" | 429506 | \n",
" CHEMBL918629 | \n",
" 65 | \n",
" Inhibition of human AChE | \n",
"
\n",
" \n",
" | 429504 | \n",
" CHEMBL918627 | \n",
" 65 | \n",
" Inhibition of human liver CE1 expressed in sf21 cells | \n",
"
\n",
" \n",
" | 425700 | \n",
" CHEMBL913682 | \n",
" 65 | \n",
" Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 425699 | \n",
" CHEMBL912015 | \n",
" 65 | \n",
" Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 511514 | \n",
" CHEMBL980957 | \n",
" 65 | \n",
" Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane | \n",
"
\n",
" \n",
" | 302753 | \n",
" CHEMBL838700 | \n",
" 65 | \n",
" Binding affinity against mu opioid receptor in mouse hot plate test | \n",
"
\n",
" \n",
" | 1528084 | \n",
" CHEMBL3705645 | \n",
" 65 | \n",
" Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized in TE buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA) using a polytron for 2X10 second bursts in the presence of protease inhibitors, followed by centrifugation at 45,000 ug for 20 minutes. The final membrane pellet was re-homogenized in storage buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA and 10% sucrose) and frozen at -78 C. until used. Saturation binding reactions were initiated by the addition of membrane preparation (protein concentration of 5 ug/well for human CB2) into wells of a deep well plate containing [3H]CP 55,940 (120 Ci/mmol, a nonselective CB agonist commercially available from Tocris) in assay buffer (50 mM Tris, 2.5 mM EDTA, 5 mM MgCl2, and 0.5 mg/mL fatty acid free BSA, pH 7.4). After 90 min incubation at 30 C., binding reaction was terminated by the addition of 300 uL/well of cold assay buffer. | \n",
"
\n",
" \n",
" | 715074 | \n",
" CHEMBL1664180 | \n",
" 64 | \n",
" Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting | \n",
"
\n",
" \n",
" | 1565814 | \n",
" CHEMBL3789421 | \n",
" 64 | \n",
" Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after 1.5 hrs by FPA based competition assay | \n",
"
\n",
" \n",
" | 1452896 | \n",
" CHEMBL3366212 | \n",
" 64 | \n",
" Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 1452898 | \n",
" CHEMBL3366214 | \n",
" 64 | \n",
" Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity | \n",
"
\n",
" \n",
" | 1452895 | \n",
" CHEMBL3366211 | \n",
" 64 | \n",
" Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 1452897 | \n",
" CHEMBL3366213 | \n",
" 64 | \n",
" Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 1528243 | \n",
" CHEMBL3706217 | \n",
" 64 | \n",
" Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized in TE buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA) using a polytron for 2x 10 second bursts in the presence of protease inhibitors, followed by centrifugation at 45,000xg for 20 minutes. The final membrane pellet was re-homogenized in storage buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA and 10% sucrose) and frozen at -78 C. until used. Saturation binding reactions were initiated by the addition of membrane preparation (protein concentration of 5 ug/well for human CB2) into wells of a deep well plate containing [3H]CP 55,940 (120 Ci/mmol, a nonselective CB agonist commercially available from Tocris) in assay buffer (50 mM Tris, 2.5 mM EDTA, 5 mM MgCl2, and 0.5 mg/mL fatty acid free BSA, pH 7.4). After 90 min incubation at 30 C., binding reaction was terminated by the addition of 300 uL/well of cold assay buffer. | \n",
"
\n",
" \n",
" | 393314 | \n",
" CHEMBL911524 | \n",
" 63 | \n",
" Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 685143 | \n",
" CHEMBL1286959 | \n",
" 63 | \n",
" Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH | \n",
"
\n",
" \n",
" | 728369 | \n",
" CHEMBL1685145 | \n",
" 63 | \n",
" Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells | \n",
"
\n",
" \n",
" | 425703 | \n",
" CHEMBL913685 | \n",
" 63 | \n",
" Binding affinity to dopamine D2 | \n",
"
\n",
" \n",
" | 393313 | \n",
" CHEMBL911523 | \n",
" 63 | \n",
" Displacement of [3H]SCH 23390 from dopamine D1 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 864185 | \n",
" CHEMBL2175134 | \n",
" 63 | \n",
" Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method | \n",
"
\n",
" \n",
" | 458068 | \n",
" CHEMBL925405 | \n",
" 62 | \n",
" Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells | \n",
"
\n",
" \n",
" | 1342911 | \n",
" CHEMBL3259186 | \n",
" 62 | \n",
" Competitive reversible inhibition of bovine thrombin using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 40 mins by Michaelis-Menten plot analysis | \n",
"
\n",
" \n",
" | 333106 | \n",
" CHEMBL853597 | \n",
" 62 | \n",
" Inhibition of FKBP12 rotamase activity | \n",
"
\n",
" \n",
" | 1561631 | \n",
" CHEMBL3776608 | \n",
" 62 | \n",
" Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter method | \n",
"
\n",
" \n",
" | 664672 | \n",
" CHEMBL1260558 | \n",
" 62 | \n",
" Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 664673 | \n",
" CHEMBL1260559 | \n",
" 62 | \n",
" Binding affinity to human 5HT2A receptor | \n",
"
\n",
" \n",
" | 302621 | \n",
" CHEMBL838818 | \n",
" 62 | \n",
" Binding affinity determined against human alpha thrombin | \n",
"
\n",
" \n",
" | 878513 | \n",
" CHEMBL2188178 | \n",
" 62 | \n",
" Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 878514 | \n",
" CHEMBL2188179 | \n",
" 62 | \n",
" Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 878515 | \n",
" CHEMBL2188180 | \n",
" 62 | \n",
" Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 544730 | \n",
" CHEMBL1010168 | \n",
" 61 | \n",
" Binding affinity to human coagulation factor 10a | \n",
"
\n",
" \n",
" | 303291 | \n",
" CHEMBL828284 | \n",
" 61 | \n",
" Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl acetate (o-NPA) as substrate | \n",
"
\n",
" \n",
" | 303460 | \n",
" CHEMBL839720 | \n",
" 61 | \n",
" Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells was determined by using [3H]MGS-0008 | \n",
"
\n",
" \n",
" | 303366 | \n",
" CHEMBL839684 | \n",
" 61 | \n",
" Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophenyl acetate (o-NPA) as substrate | \n",
"
\n",
" \n",
" | 613511 | \n",
" CHEMBL1072277 | \n",
" 61 | \n",
" Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells | \n",
"
\n",
" \n",
" | 303261 | \n",
" CHEMBL828256 | \n",
" 61 | \n",
" Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl acetate (o-NPA) as substrate | \n",
"
\n",
" \n",
" | 303260 | \n",
" CHEMBL828255 | \n",
" 61 | \n",
" Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocholine (BuTCh) as substrate | \n",
"
\n",
" \n",
" | 1436945 | \n",
" CHEMBL3388443 | \n",
" 61 | \n",
" Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption | \n",
"
\n",
" \n",
" | 303216 | \n",
" CHEMBL829841 | \n",
" 61 | \n",
" Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholine (AcTCh) as substrate | \n",
"
\n",
" \n",
" | 556996 | \n",
" CHEMBL958182 | \n",
" 61 | \n",
" Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells | \n",
"
\n",
" \n",
" | 745548 | \n",
" CHEMBL1775865 | \n",
" 61 | \n",
" Inhibition of human PI3Kalpha expressed in Sf9 cells | \n",
"
\n",
" \n",
" | 664675 | \n",
" CHEMBL1260561 | \n",
" 61 | \n",
" Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay | \n",
"
\n",
" \n",
" | 464863 | \n",
" CHEMBL930580 | \n",
" 60 | \n",
" Binding affinity at rat recombinant histamine H3 receptor in rat cortical membranes | \n",
"
\n",
" \n",
" | 635026 | \n",
" CHEMBL1118577 | \n",
" 60 | \n",
" Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins | \n",
"
\n",
" \n",
" | 635521 | \n",
" CHEMBL1118104 | \n",
" 60 | \n",
" Displacement of [3H]LSD form human recombinant 5HT6 receptor | \n",
"
\n",
" \n",
" | 641177 | \n",
" CHEMBL1174684 | \n",
" 60 | \n",
" Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane | \n",
"
\n",
" \n",
" | 158035 | \n",
" CHEMBL768259 | \n",
" 60 | \n",
" Inhibitory activity against HIV-1 protease | \n",
"
\n",
" \n",
" | 1556442 | \n",
" CHEMBL3772473 | \n",
" 60 | \n",
" Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay | \n",
"
\n",
" \n",
" | 325792 | \n",
" CHEMBL862698 | \n",
" 60 | \n",
" Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | \n",
"
\n",
" \n",
" | 464862 | \n",
" CHEMBL930579 | \n",
" 60 | \n",
" Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells | \n",
"
\n",
" \n",
" | 856937 | \n",
" CHEMBL2160580 | \n",
" 60 | \n",
" Inhibition of human thrombin using fluorogenic Cbz-Gly-Gly-Arg-NH-Mec as substrate measured over 400 secs by spectrophotometry | \n",
"
\n",
" \n",
" | 325793 | \n",
" CHEMBL862699 | \n",
" 60 | \n",
" Inhibitory constant against human cathepsin B using Boc-Leu-Lys-Arg-AMC substrate | \n",
"
\n",
" \n",
" | 325794 | \n",
" CHEMBL862700 | \n",
" 60 | \n",
" Inhibitory constant against human cathepsin L using Z-Phe-Arg-AMC substrate | \n",
"
\n",
" \n",
" | 872705 | \n",
" CHEMBL2184685 | \n",
" 60 | \n",
" Displacement of [3H]epibatidine from human alpha7 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting | \n",
"
\n",
" \n",
" | 375257 | \n",
" CHEMBL867484 | \n",
" 60 | \n",
" Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 936414 | \n",
" CHEMBL2317407 | \n",
" 60 | \n",
" Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells | \n",
"
\n",
" \n",
" | 936415 | \n",
" CHEMBL2317408 | \n",
" 60 | \n",
" Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells | \n",
"
\n",
" \n",
" | 325795 | \n",
" CHEMBL862701 | \n",
" 60 | \n",
" Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate | \n",
"
\n",
" \n",
" | 425772 | \n",
" CHEMBL855762 | \n",
" 60 | \n",
" Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay | \n",
"
\n",
" \n",
" | 1527911 | \n",
" CHEMBL3705162 | \n",
" 60 | \n",
" Binding Assay: Binding assay using Bradykinin-1 receptor. | \n",
"
\n",
" \n",
" | 364154 | \n",
" CHEMBL870844 | \n",
" 60 | \n",
" Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells | \n",
"
\n",
" \n",
" | 982934 | \n",
" CHEMBL2429574 | \n",
" 59 | \n",
" Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis | \n",
"
\n",
" \n",
" | 1342913 | \n",
" CHEMBL3259188 | \n",
" 59 | \n",
" Competitive reversible inhibition of porcine pancreatic kallikrein using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 180 mins by Michaelis-Menten plot analysis | \n",
"
\n",
" \n",
" | 448200 | \n",
" CHEMBL898460 | \n",
" 59 | \n",
" Displacement of [125I]His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells | \n",
"
\n",
" \n",
" | 397859 | \n",
" CHEMBL856320 | \n",
" 59 | \n",
" Displacement of [125I]NDP-MSH from human MC4R stably expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 1437207 | \n",
" CHEMBL3382981 | \n",
" 59 | \n",
" Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counting analysis | \n",
"
\n",
" \n",
" | 1278707 | \n",
" CHEMBL3096081 | \n",
" 59 | \n",
" Displacement of [3H]PSB-603 from human adenosine A2B receptor | \n",
"
\n",
" \n",
" | 1278706 | \n",
" CHEMBL3096080 | \n",
" 59 | \n",
" Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum | \n",
"
\n",
" \n",
" | 1527697 | \n",
" CHEMBL3705226 | \n",
" 59 | \n",
" Radioligand Binding Assay: The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000MC). CHO-K1-hCRTH2 cell membranes are again homogenized by passing through a single use needle (Terumo, 23Gx1") and diluted in SPA incubation buffer in suitable concentrations (0.5-10 ug protein/well). The SPA assay is set up in 96 well microtiter plates (Perkin Elmer, Cat No. 6005040) in SPA incubation buffer with a final volume of 200 uL per well and final concentration of 50 mM Tris-HCl, 10 mM MgCl2, 150 mM NaCl, 1 mM EDTA pH 7.4, 0.1% bovine serum albumin). The SPA assay mixture contains 60 ul of the membrane suspension, 80 uL of Wheat Germ Agglutinin coated PVT beads (GE Healthcare, RPNQ-0001, 0.3 mg/well), 40 uL of [3H]-PGD2 diluted in SPA buffer to a final concentration of 1 nM (50 000 dpm) and 20 uL of the test compound (dissolved in dimethylsulfoxide). The SPA assay mixture is incubated for 3 h at room temperature. | \n",
"
\n",
" \n",
" | 1278703 | \n",
" CHEMBL3096077 | \n",
" 59 | \n",
" Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 1278708 | \n",
" CHEMBL3096082 | \n",
" 59 | \n",
" Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 1278709 | \n",
" CHEMBL3096083 | \n",
" 59 | \n",
" Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex | \n",
"
\n",
" \n",
" | 629414 | \n",
" CHEMBL1105767 | \n",
" 59 | \n",
" Binding affinity to human histamine H3 receptor | \n",
"
\n",
" \n",
" | 398818 | \n",
" CHEMBL908038 | \n",
" 59 | \n",
" Binding affinity to human MCHR1 | \n",
"
\n",
" \n",
" | 1535209 | \n",
" CHEMBL3707811 | \n",
" 58 | \n",
" Biological Assay: Biological assay using monoamine oxidase or LSD1. | \n",
"
\n",
" \n",
" | 621604 | \n",
" CHEMBL1113036 | \n",
" 58 | \n",
" Displacement of SST14 from human recombinant SST3 receptor | \n",
"
\n",
" \n",
" | 621603 | \n",
" CHEMBL1113035 | \n",
" 58 | \n",
" Displacement of SST14 from human recombinant SST2 receptor | \n",
"
\n",
" \n",
" | 1280134 | \n",
" CHEMBL3097705 | \n",
" 58 | \n",
" Displacement of [3H]methyllycaconitine from alpha7 nAChR in Sprague-Dawley rat forebrain P2 fraction after 90 mins by liquid scintillation counting analysis | \n",
"
\n",
" \n",
" | 1527788 | \n",
" CHEMBL3705322 | \n",
" 58 | \n",
" Biological Assay: Biological assay using monoamine oxidase or LSD1. | \n",
"
\n",
" \n",
" | 446257 | \n",
" CHEMBL895361 | \n",
" 58 | \n",
" Displacement of [125I]neurokinin A from human recombinant NK2 receptor | \n",
"
\n",
" \n",
" | 621599 | \n",
" CHEMBL1113031 | \n",
" 58 | \n",
" Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay | \n",
"
\n",
" \n",
" | 1785273 | \n",
" CHEMBL4256790 | \n",
" 58 | \n",
" Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) in presence of FITC-MLL peptide by FPA assay | \n",
"
\n",
" \n",
" | 560532 | \n",
" CHEMBL1021382 | \n",
" 58 | \n",
" Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting | \n",
"
\n",
" \n",
" | 931327 | \n",
" CHEMBL3069984 | \n",
" 58 | \n",
" Binding affinity to acetylcholinesterase (unknown origin) | \n",
"
\n",
" \n",
" | 560533 | \n",
" CHEMBL1021383 | \n",
" 58 | \n",
" Displacement of radioligand from human recombinant adenosine A1 receptor at 21 degC after 90 mins by cell-based microplate scintillation counting | \n",
"
\n",
" \n",
" | 355136 | \n",
" CHEMBL853189 | \n",
" 58 | \n",
" Displacement of [3H]nisoxetine from NET | \n",
"
\n",
" \n",
" | 621605 | \n",
" CHEMBL1113037 | \n",
" 58 | \n",
" Displacement of SST14 from human recombinant SST4 receptor | \n",
"
\n",
" \n",
" | 443964 | \n",
" CHEMBL892111 | \n",
" 57 | \n",
" Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 1278712 | \n",
" CHEMBL3096086 | \n",
" 57 | \n",
" Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 860488 | \n",
" CHEMBL2166657 | \n",
" 57 | \n",
" Inhibition of human N-terminal poly-His tagged-PI3Kalpha expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay | \n",
"
\n",
" \n",
" | 443967 | \n",
" CHEMBL892114 | \n",
" 57 | \n",
" Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 860487 | \n",
" CHEMBL2166656 | \n",
" 57 | \n",
" Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay | \n",
"
\n",
" \n",
" | 355134 | \n",
" CHEMBL853187 | \n",
" 57 | \n",
" Displacement of [3H]citalopram from SERT | \n",
"
\n",
" \n",
" | 634857 | \n",
" CHEMBL1120489 | \n",
" 57 | \n",
" Displacement [3H]Arg human recombinant Vasopressin V2 receptor | \n",
"
\n",
" \n",
" | 634856 | \n",
" CHEMBL1120488 | \n",
" 57 | \n",
" Displacement [3H]Arg human recombinant Vasopressin V1a receptor | \n",
"
\n",
" \n",
" | 520160 | \n",
" CHEMBL947848 | \n",
" 57 | \n",
" Inhibition of human liver CE1-mediated O-nitrophenyl acetate hydrolysis by spectrophotometry | \n",
"
\n",
" \n",
" | 404874 | \n",
" CHEMBL869276 | \n",
" 57 | \n",
" Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 821892 | \n",
" CHEMBL2039538 | \n",
" 57 | \n",
" Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay | \n",
"
\n",
" \n",
" | 450409 | \n",
" CHEMBL900693 | \n",
" 57 | \n",
" Inhibition of human CB2 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 860486 | \n",
" CHEMBL2166655 | \n",
" 57 | \n",
" Inhibition of human N-terminal poly-His tagged-PI3Kgamma expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay | \n",
"
\n",
" \n",
" | 443966 | \n",
" CHEMBL892113 | \n",
" 57 | \n",
" Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 685646 | \n",
" CHEMBL1285548 | \n",
" 57 | \n",
" Inhibition of wild type HIV1 protease by FRET | \n",
"
\n",
" \n",
" | 860485 | \n",
" CHEMBL2166654 | \n",
" 57 | \n",
" Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay | \n",
"
\n",
" \n",
" | 443965 | \n",
" CHEMBL892112 | \n",
" 57 | \n",
" Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 588142 | \n",
" CHEMBL1049259 | \n",
" 57 | \n",
" Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells | \n",
"
\n",
" \n",
" | 588141 | \n",
" CHEMBL1049258 | \n",
" 57 | \n",
" Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells | \n",
"
\n",
" \n",
" | 1534939 | \n",
" CHEMBL3707803 | \n",
" 56 | \n",
" Biological Assay: Biological assay using monoamine oxidase or LSD1. | \n",
"
\n",
" \n",
" | 363667 | \n",
" CHEMBL853234 | \n",
" 56 | \n",
" Displacement of [3H]BK from human B2 receptor transfected in CHO cells | \n",
"
\n",
" \n",
" | 863118 | \n",
" CHEMBL2175616 | \n",
" 56 | \n",
" Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter | \n",
"
\n",
" \n",
" | 363669 | \n",
" CHEMBL853236 | \n",
" 56 | \n",
" Binding affinity to human B1 receptor | \n",
"
\n",
" \n",
" | 391331 | \n",
" CHEMBL870467 | \n",
" 56 | \n",
" Displacement of [3H]SCH 23390 from human dopamine D1 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 1351394 | \n",
" CHEMBL3266970 | \n",
" 56 | \n",
" Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting | \n",
"
\n",
" \n",
" | 1528180 | \n",
" CHEMBL3705650 | \n",
" 56 | \n",
" Enzyme Assay: All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of the compound are incubated in TME buffer with 0.1% BSA (final volume of 250 uL) for 15 minutes at 37 C. Samples (100 uL) are taken at the start of the assay and after 15 minutes, diluted 1:5 with acetonitrile and centrifuged (20,000 RCF, five minutes, room temperature) to precipitate the proteins. The resulting supernatant is injected onto the HPLC. Calculations for determining the percent compound remaining are described in the following equation:% R=Peak Area (T15)/Peak Area (T0)To determine whether or not the compounds are good substrates for FAAH, 25 nmoles of the compound were incubated with 75 ug enzyme preparation in TME buffer with 0.1% BSA (final volume 250 uL). The reaction mixture is treated in the same manner as described above. | \n",
"
\n",
" \n",
" | 441650 | \n",
" CHEMBL891881 | \n",
" 56 | \n",
" Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 611932 | \n",
" CHEMBL1071493 | \n",
" 56 | \n",
" Inhibition of human adenosine 2A receptor | \n",
"
\n",
" \n",
" | 336777 | \n",
" CHEMBL864338 | \n",
" 56 | \n",
" Inhibitory activity against Src in cell free assay | \n",
"
\n",
" \n",
" | 303283 | \n",
" CHEMBL828276 | \n",
" 56 | \n",
" Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue | \n",
"
\n",
" \n",
" | 816345 | \n",
" CHEMBL2024743 | \n",
" 56 | \n",
" Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction in basal ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay | \n",
"
\n",
" \n",
" | 373919 | \n",
" CHEMBL868541 | \n",
" 56 | \n",
" Inhibition of matriptase | \n",
"
\n",
" \n",
" | 513861 | \n",
" CHEMBL970755 | \n",
" 56 | \n",
" Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0 | \n",
"
\n",
" \n",
" | 737263 | \n",
" CHEMBL1613909 | \n",
" 56 | \n",
" PUBCHEM_BIOASSAY: SAR Colorimetric assay for the identification of compounds that inhibit VHR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1654, AID1661, AID1878, AID1957, AID1958, AID1992, AID2074, AID2082, AID2083] | \n",
"
\n",
" \n",
" | 391332 | \n",
" CHEMBL870468 | \n",
" 56 | \n",
" Displacement of [3H]methylspiperone from human dopamine D2 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 1522895 | \n",
" CHEMBL3630768 | \n",
" 56 | \n",
" Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as substrate by spectrofluorometric analysis | \n",
"
\n",
" \n",
" | 1690030 | \n",
" CHEMBL4040600 | \n",
" 56 | \n",
" Inhibition of recombinant human N-terminal GST-tagged IKKalpha (1 to 745 residues) expressed in baculovirus expression system using biotinylated IkBalpha as substrate after 60 mins by DELFIA | \n",
"
\n",
" \n",
" | 444276 | \n",
" CHEMBL894516 | \n",
" 55 | \n",
" Binding affinity to human cloned adrenergic alpha-1A receptor | \n",
"
\n",
" \n",
" | 444277 | \n",
" CHEMBL894517 | \n",
" 55 | \n",
" Binding affinity to human cloned adrenergic alpha-1B receptor | \n",
"
\n",
" \n",
" | 444278 | \n",
" CHEMBL894518 | \n",
" 55 | \n",
" Binding affinity to human cloned adrenergic Alpha-1D receptor | \n",
"
\n",
" \n",
" | 469216 | \n",
" CHEMBL948917 | \n",
" 55 | \n",
" Inhibition of human alpha-thrombin | \n",
"
\n",
" \n",
" | 1468240 | \n",
" CHEMBL3411783 | \n",
" 55 | \n",
" Binding affinity to CB2 receptor (unknown origin) | \n",
"
\n",
" \n",
" | 700657 | \n",
" CHEMBL1645696 | \n",
" 55 | \n",
" Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assay | \n",
"
\n",
" \n",
" | 700655 | \n",
" CHEMBL1645694 | \n",
" 55 | \n",
" Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay | \n",
"
\n",
" \n",
" | 700656 | \n",
" CHEMBL1645695 | \n",
" 55 | \n",
" Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay | \n",
"
\n",
" \n",
" | 700659 | \n",
" CHEMBL1645698 | \n",
" 55 | \n",
" Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay | \n",
"
\n",
" \n",
" | 979771 | \n",
" CHEMBL2421816 | \n",
" 55 | \n",
" Inhibition of TYK2 (unknown origin) using 5-carboxyfluorescein-VALVDGYFRLTT-NH2 as substrate | \n",
"
\n",
" \n",
" | 362986 | \n",
" CHEMBL871249 | \n",
" 55 | \n",
" Inhibition of human recombinant DPP4 | \n",
"
\n",
" \n",
" | 700658 | \n",
" CHEMBL1645697 | \n",
" 55 | \n",
" Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay | \n",
"
\n",
" \n",
" | 979759 | \n",
" CHEMBL2421804 | \n",
" 55 | \n",
" Inhibition of JAK1 (unknown origin) | \n",
"
\n",
" \n",
" | 876706 | \n",
" CHEMBL2183177 | \n",
" 54 | \n",
" Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr | \n",
"
\n",
" \n",
" | 302845 | \n",
" CHEMBL827890 | \n",
" 54 | \n",
" Binding affinity for Human gonadotropin-releasing hormone receptor | \n",
"
\n",
" \n",
" | 373920 | \n",
" CHEMBL868542 | \n",
" 54 | \n",
" Inhibition of uPA | \n",
"
\n",
" \n",
" | 373921 | \n",
" CHEMBL868543 | \n",
" 54 | \n",
" Inhibition of plasmin | \n",
"
\n",
" \n",
" | 373922 | \n",
" CHEMBL868544 | \n",
" 54 | \n",
" Inhibition of thrombin | \n",
"
\n",
" \n",
" | 373923 | \n",
" CHEMBL868545 | \n",
" 54 | \n",
" Inhibition of f10a | \n",
"
\n",
" \n",
" | 438974 | \n",
" CHEMBL889317 | \n",
" 54 | \n",
" Inhibition of human F10a | \n",
"
\n",
" \n",
" | 438975 | \n",
" CHEMBL889318 | \n",
" 54 | \n",
" Inhibition of human F2a | \n",
"
\n",
" \n",
" | 444279 | \n",
" CHEMBL894519 | \n",
" 54 | \n",
" Binding affinity to human dopamine D2 receptor | \n",
"
\n",
" \n",
" | 472994 | \n",
" CHEMBL931641 | \n",
" 54 | \n",
" Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells | \n",
"
\n",
" \n",
" | 472995 | \n",
" CHEMBL931642 | \n",
" 54 | \n",
" Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells | \n",
"
\n",
" \n",
" | 501433 | \n",
" CHEMBL994692 | \n",
" 54 | \n",
" Displacement of [3H]LSD from human recombinant 5HT6 receptor | \n",
"
\n",
" \n",
" | 536731 | \n",
" CHEMBL984525 | \n",
" 54 | \n",
" Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane | \n",
"
\n",
" \n",
" | 560534 | \n",
" CHEMBL1021384 | \n",
" 54 | \n",
" Displacement of radioligand from human recombinant adenosine A2B receptor at 21 degC after 60 mins by cell-based microplate scintillation counting | \n",
"
\n",
" \n",
" | 560535 | \n",
" CHEMBL1021385 | \n",
" 54 | \n",
" Displacement of radioligand from human recombinant adenosine A3 receptor at 21 degC after 60 mins by cell-based microplate scintillation counting | \n",
"
\n",
" \n",
" | 675412 | \n",
" CHEMBL1273492 | \n",
" 54 | \n",
" Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis | \n",
"
\n",
" \n",
" | 803919 | \n",
" CHEMBL1954606 | \n",
" 54 | \n",
" Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain | \n",
"
\n",
" \n",
" | 876705 | \n",
" CHEMBL2182818 | \n",
" 54 | \n",
" Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells incubated for 1 hr | \n",
"
\n",
" \n",
" | 979760 | \n",
" CHEMBL2421805 | \n",
" 54 | \n",
" Inhibition of JAK2 (unknown origin) | \n",
"
\n",
" \n",
" | 1503354 | \n",
" CHEMBL3590745 | \n",
" 54 | \n",
" Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay | \n",
"
\n",
" \n",
" | 1503356 | \n",
" CHEMBL3590859 | \n",
" 54 | \n",
" Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay | \n",
"
\n",
" \n",
" | 1528733 | \n",
" CHEMBL3705892 | \n",
" 54 | \n",
" Radioligand Binding: The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3-[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (TreffLab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3Kd in nM. | \n",
"
\n",
" \n",
" | 1528734 | \n",
" CHEMBL3705893 | \n",
" 54 | \n",
" Radioligand Binding: The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 uM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (Treff Lab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3 Kd in nM. | \n",
"
\n",
" \n",
" | 1776530 | \n",
" CHEMBL4233522 | \n",
" 54 | \n",
" Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes | \n",
"
\n",
" \n",
" | 1344334 | \n",
" CHEMBL3257004 | \n",
" 53 | \n",
" Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis | \n",
"
\n",
" \n",
" | 873559 | \n",
" CHEMBL2187476 | \n",
" 53 | \n",
" Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells | \n",
"
\n",
" \n",
" | 769241 | \n",
" CHEMBL1833078 | \n",
" 53 | \n",
" Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes | \n",
"
\n",
" \n",
" | 990337 | \n",
" CHEMBL2445750 | \n",
" 53 | \n",
" Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis | \n",
"
\n",
" \n",
" | 990336 | \n",
" CHEMBL2445749 | \n",
" 53 | \n",
" Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis | \n",
"
\n",
" \n",
" | 384211 | \n",
" CHEMBL868581 | \n",
" 53 | \n",
" Binding affinity to human 5HT2C receptor | \n",
"
\n",
" \n",
" | 384212 | \n",
" CHEMBL868582 | \n",
" 53 | \n",
" Binding affinity to human 5HT2A receptor | \n",
"
\n",
" \n",
" | 384213 | \n",
" CHEMBL868583 | \n",
" 53 | \n",
" Binding affinity to human 5HT2B receptor | \n",
"
\n",
" \n",
" | 411464 | \n",
" CHEMBL853861 | \n",
" 53 | \n",
" Displacement of [125I]motilin from human MOTR | \n",
"
\n",
" \n",
" | 425512 | \n",
" CHEMBL909602 | \n",
" 53 | \n",
" Displacement of Bax-derived peptide from Bcl2 by fluorescence polarization assay | \n",
"
\n",
" \n",
" | 1352081 | \n",
" CHEMBL3267346 | \n",
" 53 | \n",
" Inhibition of human recombinant adenosine receptor A2b | \n",
"
\n",
" \n",
" | 554819 | \n",
" CHEMBL953972 | \n",
" 53 | \n",
" Displacement of [3H]CP-55940 from human CB2 receptor | \n",
"
\n",
" \n",
" | 536733 | \n",
" CHEMBL984527 | \n",
" 53 | \n",
" Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 447747 | \n",
" CHEMBL895641 | \n",
" 53 | \n",
" Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells | \n",
"
\n",
" \n",
" | 157733 | \n",
" CHEMBL765171 | \n",
" 53 | \n",
" Inhibitory activity against HIV protease | \n",
"
\n",
" \n",
" | 52222 | \n",
" CHEMBL663972 | \n",
" 53 | \n",
" In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H]LTD4 binding assay in guinea pig lung membranes | \n",
"
\n",
" \n",
" | 470061 | \n",
" CHEMBL933439 | \n",
" 53 | \n",
" Inhibition of human factor 10a | \n",
"
\n",
" \n",
" | 1638156 | \n",
" CHEMBL3881217 | \n",
" 53 | \n",
" Displacement of [3H]-PGD2 from PGD2 receptor in human platelet membranes after 2 hrs by micro beta scintillation counting analysis | \n",
"
\n",
" \n",
" | 856369 | \n",
" CHEMBL2160724 | \n",
" 53 | \n",
" Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay | \n",
"
\n",
" \n",
" | 1671313 | \n",
" CHEMBL4021342 | \n",
" 53 | \n",
" Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins | \n",
"
\n",
" \n",
" | 1352085 | \n",
" CHEMBL3267350 | \n",
" 52 | \n",
" Inhibition of human recombinant adenosine A3 receptor | \n",
"
\n",
" \n",
" | 1330007 | \n",
" CHEMBL3222515 | \n",
" 52 | \n",
" Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in CHO-K1 cells | \n",
"
\n",
" \n",
" | 1527992 | \n",
" CHEMBL3705912 | \n",
" 52 | \n",
" Binding Assay: Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH1 receptor obtained from Euroscreen (Batch 1138). | \n",
"
\n",
" \n",
" | 1330005 | \n",
" CHEMBL3222513 | \n",
" 52 | \n",
" Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 873597 | \n",
" CHEMBL2187886 | \n",
" 52 | \n",
" Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 859794 | \n",
" CHEMBL2169622 | \n",
" 52 | \n",
" Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting | \n",
"
\n",
" \n",
" | 859793 | \n",
" CHEMBL2169621 | \n",
" 52 | \n",
" Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting | \n",
"
\n",
" \n",
" | 859792 | \n",
" CHEMBL2169620 | \n",
" 52 | \n",
" Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting | \n",
"
\n",
" \n",
" | 859791 | \n",
" CHEMBL2169619 | \n",
" 52 | \n",
" Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting | \n",
"
\n",
" \n",
" | 835846 | \n",
" CHEMBL2071957 | \n",
" 52 | \n",
" Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay | \n",
"
\n",
" \n",
" | 801859 | \n",
" CHEMBL1947471 | \n",
" 52 | \n",
" Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells | \n",
"
\n",
" \n",
" | 790253 | \n",
" CHEMBL1925646 | \n",
" 52 | \n",
" Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay | \n",
"
\n",
" \n",
" | 699418 | \n",
" CHEMBL1647445 | \n",
" 52 | \n",
" Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay | \n",
"
\n",
" \n",
" | 665493 | \n",
" CHEMBL1261324 | \n",
" 52 | \n",
" Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 554820 | \n",
" CHEMBL953973 | \n",
" 52 | \n",
" Displacement of [3H]CP-55940 from human CB1 receptor | \n",
"
\n",
" \n",
" | 497564 | \n",
" CHEMBL998621 | \n",
" 52 | \n",
" Displacement of [125I]CXCL10 from human CXCR3 expressed in HEK293T cells | \n",
"
\n",
" \n",
" | 475717 | \n",
" CHEMBL934603 | \n",
" 52 | \n",
" Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells | \n",
"
\n",
" \n",
" | 450845 | \n",
" CHEMBL899931 | \n",
" 52 | \n",
" Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 448716 | \n",
" CHEMBL897862 | \n",
" 52 | \n",
" Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells | \n",
"
\n",
" \n",
" | 436469 | \n",
" CHEMBL904776 | \n",
" 52 | \n",
" Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA | \n",
"
\n",
" \n",
" | 425511 | \n",
" CHEMBL909601 | \n",
" 52 | \n",
" Displacement of Bad-derived peptide from Bcl-xL by fluorescence polarization assay | \n",
"
\n",
" \n",
" | 396128 | \n",
" CHEMBL910349 | \n",
" 52 | \n",
" Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells | \n",
"
\n",
" \n",
" | 370710 | \n",
" CHEMBL867233 | \n",
" 52 | \n",
" Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor | \n",
"
\n",
" \n",
" | 361059 | \n",
" CHEMBL859181 | \n",
" 52 | \n",
" Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells | \n",
"
\n",
" \n",
" | 1681750 | \n",
" CHEMBL4032027 | \n",
" 52 | \n",
" Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | \n",
"
\n",
" \n",
" | 327232 | \n",
" CHEMBL865131 | \n",
" 52 | \n",
" Inhibitory activity against human glutaminyl cyclase | \n",
"
\n",
" \n",
" | 304037 | \n",
" CHEMBL840215 | \n",
" 52 | \n",
" Inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells | \n",
"
\n",
" \n",
" | 157714 | \n",
" CHEMBL763388 | \n",
" 52 | \n",
" Inhibition constant against HIV-1 Protease | \n",
"
\n",
" \n",
" | 1444591 | \n",
" CHEMBL3375410 | \n",
" 52 | \n",
" Displacement of [3H]CP55940 from human CB1R expressed in CHO cells | \n",
"
\n",
" \n",
" | 1444590 | \n",
" CHEMBL3375409 | \n",
" 52 | \n",
" Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells | \n",
"
\n",
" \n",
" | 613740 | \n",
" CHEMBL1068887 | \n",
" 51 | \n",
" Displacement of [3H]nisoxetine from human recombinant NET expressed in BacMam virus-transduced cells by scintillation proximity assay | \n",
"
\n",
" \n",
" | 613741 | \n",
" CHEMBL1068888 | \n",
" 51 | \n",
" Displacement of [3H]citalopram from human recombinant SERT expressed in BacMam virus-transduced cells by scintillation proximity assay | \n",
"
\n",
" \n",
" | 1772843 | \n",
" CHEMBL4229835 | \n",
" 51 | \n",
" Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method | \n",
"
\n",
" \n",
" | 1790426 | \n",
" CHEMBL4262345 | \n",
" 51 | \n",
" Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting method | \n",
"
\n",
" \n",
" | 1772844 | \n",
" CHEMBL4229836 | \n",
" 51 | \n",
" Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting method | \n",
"
\n",
" \n",
" | 344236 | \n",
" CHEMBL867755 | \n",
" 51 | \n",
" Inhibition of bovine CA4 | \n",
"
\n",
" \n",
" | 344235 | \n",
" CHEMBL870709 | \n",
" 51 | \n",
" Inhibition of human CA2 | \n",
"
\n",
" \n",
" | 335548 | \n",
" CHEMBL859414 | \n",
" 51 | \n",
" Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in murine brain | \n",
"
\n",
" \n",
" | 36514 | \n",
" CHEMBL650169 | \n",
" 51 | \n",
" Inhibitory activity of compound against HIV-1 aspartyl protease. | \n",
"
\n",
" \n",
" | 1772845 | \n",
" CHEMBL4229837 | \n",
" 51 | \n",
" Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method | \n",
"
\n",
" \n",
" | 457478 | \n",
" CHEMBL941996 | \n",
" 51 | \n",
" Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus | \n",
"
\n",
" \n",
" | 1772846 | \n",
" CHEMBL4229838 | \n",
" 51 | \n",
" Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method | \n",
"
\n",
" \n",
" | 1790472 | \n",
" CHEMBL4262391 | \n",
" 51 | \n",
" Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillation counting method | \n",
"
\n",
" \n",
" | 1571915 | \n",
" CHEMBL3796307 | \n",
" 51 | \n",
" Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells | \n",
"
\n",
" \n",
" | 513860 | \n",
" CHEMBL970754 | \n",
" 51 | \n",
" Inhibition of rat FAAH expressed in Escherichia coli | \n",
"
\n",
" \n",
" | 436470 | \n",
" CHEMBL904775 | \n",
" 51 | \n",
" Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH | \n",
"
\n",
" \n",
" | 932187 | \n",
" CHEMBL3073105 | \n",
" 51 | \n",
" Binding affinity to dopamine D2 receptor (unknown origin) | \n",
"
\n",
" \n",
" | 587702 | \n",
" CHEMBL1037716 | \n",
" 51 | \n",
" Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 953474 | \n",
" CHEMBL2351085 | \n",
" 51 | \n",
" Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis | \n",
"
\n",
" \n",
" | 422416 | \n",
" CHEMBL909851 | \n",
" 51 | \n",
" Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells | \n",
"
\n",
" \n",
" | 610979 | \n",
" CHEMBL1070310 | \n",
" 51 | \n",
" Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane | \n",
"
\n",
" \n",
" | 1772842 | \n",
" CHEMBL4229834 | \n",
" 51 | \n",
" Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method | \n",
"
\n",
" \n",
" | 613739 | \n",
" CHEMBL1068886 | \n",
" 51 | \n",
" Displacement of [3H]WIN-35428 from human recombinant DAT expressed in BacMam virus-transduced cells by scintillation proximity assay | \n",
"
\n",
" \n",
"