Compile Data Set for Download or QSAR

Found 5170 hits with Last Name = 'ngu' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (Hepacivirus C)	BDBM50485494 (CHEMBL2063089) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@@]1([H])C=C)C(=O)NS(=O)(=O)C1CC1)Oc1cc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C39H51N5O9S/c1-6-24-20-39(24,36(47)43-54(49,50)27-13-14-27)42-34(45)30-19-26-21-44(30)35(46)33(38(2,3)4)41-37(48)53-31-17-22(31)10-8-7-9-11-29-32(52-26)18-23-16-25(51-5)12-15-28(23)40-29/h6,12,15-16,18,22,24,26-27,30-31,33H,1,7-11,13-14,17,19-21H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t22-,24-,26-,30+,31-,33-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485491 (CHEMBL2063088) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCC[C@@]1([H])CCCCCc1nc3ccc(OC)cc3cc1O2)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C41H55N5O9S/c1-6-26-22-41(26,38(49)45-56(51,52)29-16-17-29)44-36(47)32-21-28-23-46(32)37(48)35(40(2,3)4)43-39(50)55-33-14-10-12-24(33)11-8-7-9-13-31-34(54-28)20-25-19-27(53-5)15-18-30(25)42-31/h6,15,18-20,24,26,28-29,32-33,35H,1,7-14,16-17,21-23H2,2-5H3,(H,43,50)(H,44,47)(H,45,49)/t24-,26-,28-,32+,33-,35-,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485492 (Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepacivirus C)	BDBM50486093 (CHEMBL2203889) Show SMILES CCOc1cc2O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N3CC(C3)OCCC\C=C\c3cc2c(cc3OC)n1)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:28| Show InChI InChI=1S/C43H56N6O10S/c1-4-28-22-43(28,41(52)47-60(54,55)31-15-16-31)46-39(50)34-19-29-25-49(34)40(51)38(26-12-8-6-9-13-26)45-42(53)48-23-30(24-48)58-17-11-7-10-14-27-18-32-33(20-35(27)56-3)44-37(57-5-2)21-36(32)59-29/h4,10,14,18,20-21,26,28-31,34,38H,1,5-9,11-13,15-17,19,22-25H2,2-3H3,(H,45,53)(H,46,50)(H,47,52)/b14-10+/t28-,29-,34+,38+,43-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153088 (CHEMBL365416 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCNC1=O Show InChI InChI=1S/C21H39N3O4/c1-21(2,3)18-20(27)22-14-12-10-8-6-4-5-7-9-11-13-17(19(26)23-18)15-24(28)16-25/h16-18,28H,4-15H2,1-3H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153085 (CHEMBL364836 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O Show InChI InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153083 (CHEMBL441502 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486108 (CHEMBL2203884) Show SMILES [H][C@]12CCN(C1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1cc(OCC)nc3cc(OC)c(cc13)\C=C\CO2 |r,t:64| Show InChI InChI=1S/C42H54N6O10S/c1-4-27-22-42(27,40(51)46-59(53,54)30-13-14-30)45-38(49)33-19-29-24-48(33)39(50)37(25-10-7-6-8-11-25)44-41(52)47-16-15-28(23-47)57-17-9-12-26-18-31-32(20-34(26)55-3)43-36(56-5-2)21-35(31)58-29/h4,9,12,18,20-21,25,27-30,33,37H,1,5-8,10-11,13-17,19,22-24H2,2-3H3,(H,44,52)(H,45,49)(H,46,51)/b12-9+/t27-,28+,29-,33+,37+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50131892 (CHEMBL421252 | N-(3-tert-Butyl-2,5-dioxo-1,4diaza-...) Show SMILES CC(C)(C)[C@@H]1NC(=O)C(CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15?,16-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity against Co(II)-substituted E. coli peptide deformylase was determined				J Med Chem 46: 3771-4 (2003) Article DOI: 10.1021/jm034113f BindingDB Entry DOI: 10.7270/Q2765DQ4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486111 (CHEMBL2203888) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)N1CCC(CC1)OCCC\C=C\c1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,wU:3.51,51.58,1.0,wD:49.54,8.44,t:24,(15.72,-7.19,;15.19,-8.98,;16.74,-8.96,;17.23,-10.43,;15.99,-11.35,;14.73,-10.45,;16.03,-12.89,;17.38,-13.63,;14.7,-13.69,;13.35,-12.94,;11.84,-15.21,;11.85,-16.54,;10.18,-15.2,;8.88,-16.01,;7.52,-15.29,;7.46,-13.75,;8.76,-12.92,;10.12,-13.66,;6.09,-13.03,;6.03,-11.49,;7.34,-10.67,;7.27,-9.13,;8.57,-8.31,;8.51,-6.78,;9.83,-5.96,;11.19,-6.69,;12.5,-5.86,;13.85,-6.58,;13.91,-8.13,;15.17,-5.76,;15.1,-4.21,;16.4,-3.38,;17.76,-4.1,;19.08,-3.28,;13.74,-3.51,;12.43,-4.32,;11.08,-3.6,;9.77,-4.42,;8.41,-3.69,;8.37,-2.15,;14.74,-15.23,;13.43,-16.03,;13.46,-17.56,;14.81,-18.3,;16.13,-17.5,;16.1,-15.96,;18.57,-11.17,;19.9,-10.37,;18.6,-12.71,;19.96,-13.45,;21.3,-14.2,;19.99,-15,;21.25,-15.86,;21.22,-17.4,;21.28,-12.66,;21.24,-11.12,;22.62,-13.41,;23.92,-12.59,;25.47,-12.55,;24.72,-13.9,;23.89,-11.05,;24.63,-9.69,;23.08,-9.74,)| Show InChI InChI=1S/C45H60N6O10S/c1-4-30-26-45(30,43(54)49-62(56,57)33-15-16-33)48-41(52)36-23-32-27-51(36)42(53)40(28-12-8-6-9-13-28)47-44(55)50-19-17-31(18-20-50)60-21-11-7-10-14-29-22-34-35(24-37(29)58-3)46-39(59-5-2)25-38(34)61-32/h4,10,14,22,24-25,28,30-33,36,40H,1,5-9,11-13,15-21,23,26-27H2,2-3H3,(H,47,55)(H,48,52)(H,49,54)/b14-10+/t30-,32-,36+,40+,45-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486101 (CHEMBL2203879) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])COC[C@@]1([H])C\C=C\c1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:23| Show InChI InChI=1S/C42H53N5O11S/c1-4-27-20-42(27,40(50)46-59(52,53)29-14-15-29)45-38(48)32-17-28-21-47(32)39(49)37(24-10-7-6-8-11-24)44-41(51)58-35-23-55-22-26(35)13-9-12-25-16-30-31(18-33(25)54-3)43-36(56-5-2)19-34(30)57-28/h4,9,12,16,18-19,24,26-29,32,35,37H,1,5-8,10-11,13-15,17,20-23H2,2-3H3,(H,44,51)(H,45,48)(H,46,50)/b12-9+/t26-,27-,28-,32+,35-,37+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034711 ((1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine ...) Show SMILES C[C@@H](N)[C@H](C)c1cnc[nH]1 Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)/t5-,6+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486103 (CHEMBL2203874) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCC[C@@]1([H])C\C=C\c1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:23| Show InChI InChI=1S/C42H53N5O10S/c1-4-27-22-42(27,40(50)46-58(52,53)29-16-17-29)45-38(48)32-19-28-23-47(32)39(49)37(25-10-6-7-11-25)44-41(51)57-33-15-9-13-24(33)12-8-14-26-18-30-31(20-34(26)54-3)43-36(55-5-2)21-35(30)56-28/h4,8,14,18,20-21,24-25,27-29,32-33,37H,1,5-7,9-13,15-17,19,22-23H2,2-3H3,(H,44,51)(H,45,48)(H,46,50)/b14-8+/t24-,27-,28-,32+,33-,37+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19622 ((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...) Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 |r| Show InChI InChI=1S/C26H33ClN4O3/c1-17(16-28-19-11-13-20(33-2)14-12-19)29-25(32)23(15-18-7-4-3-5-8-18)31-26-30-22-10-6-9-21(27)24(22)34-26/h6,9-14,17-18,23,28H,3-5,7-8,15-16H2,1-2H3,(H,29,32)(H,30,31)/t17-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-53.4	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 1975-80 (2006) Article DOI: 10.1016/j.bmcl.2005.12.095 BindingDB Entry DOI: 10.7270/Q2PZ573M
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486092 (CHEMBL2203892) Show SMILES [H][C@]12CCN(C1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3cc1\C=C\CCCO2 |r,t:60| Show InChI InChI=1S/C41H52N6O9S/c1-3-28-22-41(28,39(50)45-57(52,53)32-14-15-32)44-36(48)34-21-31-24-47(34)38(49)35(25-9-6-7-10-25)43-40(51)46-17-16-30(23-46)55-18-8-4-5-11-27-19-26-12-13-29(54-2)20-33(26)42-37(27)56-31/h3,5,11-13,19-20,25,28,30-32,34-35H,1,4,6-10,14-18,21-24H2,2H3,(H,43,51)(H,44,48)(H,45,50)/b11-5+/t28-,30+,31-,34+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease D168V mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity of compound towards Histamine H3 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine radioligand				Bioorg Med Chem Lett 8: 243-8 (1999) BindingDB Entry DOI: 10.7270/Q2ST7P0Z
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486091 (CHEMBL2203893) Show SMILES [H][C@]12CCN(C1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3cc1CCCCCO2 |r| Show InChI InChI=1S/C41H54N6O9S/c1-3-28-22-41(28,39(50)45-57(52,53)32-14-15-32)44-36(48)34-21-31-24-47(34)38(49)35(25-9-6-7-10-25)43-40(51)46-17-16-30(23-46)55-18-8-4-5-11-27-19-26-12-13-29(54-2)20-33(26)42-37(27)56-31/h3,12-13,19-20,25,28,30-32,34-35H,1,4-11,14-18,21-24H2,2H3,(H,43,51)(H,44,48)(H,45,50)/t28-,30+,31-,34+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19610 ((2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl...) Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 1486-90 (2006) Article DOI: 10.1016/j.bmcl.2005.12.056 BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486110 (CHEMBL2203883) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)N(C)[C@]1([H])CCC[C@@]1([H])C\C=C\c1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:24| Show InChI InChI=1S/C43H56N6O9S/c1-5-28-23-43(28,41(52)47-59(54,55)30-17-18-30)46-39(50)34-20-29-24-49(34)40(51)38(26-11-7-8-12-26)45-42(53)48(3)33-16-10-14-25(33)13-9-15-27-19-31-32(21-35(27)56-4)44-37(57-6-2)22-36(31)58-29/h5,9,15,19,21-22,25-26,28-30,33-34,38H,1,6-8,10-14,16-18,20,23-24H2,2-4H3,(H,45,53)(H,46,50)(H,47,52)/b15-9+/t25-,28-,29-,33-,34+,38+,43-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486090 (CHEMBL2203882) Show SMILES [H][C@@]12C[C@]1([H])c1cc3c(O[C@]4([H])C[C@H](N(C4)C(=O)[C@@H](NC(=O)OCC(C)(C)C2)C2CCCC2)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)cc(OCC)nc3cc1OC |r| Show InChI InChI=1S/C42H55N5O10S/c1-6-25-20-42(25,39(50)46-58(52,53)27-12-13-27)45-37(48)32-15-26-21-47(32)38(49)36(23-10-8-9-11-23)44-40(51)56-22-41(3,4)19-24-14-28(24)29-16-30-31(17-33(29)54-5)43-35(55-7-2)18-34(30)57-26/h6,16-18,23-28,32,36H,1,7-15,19-22H2,2-5H3,(H,44,51)(H,45,48)(H,46,50)/t24-,25+,26+,28-,32-,36-,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease D168V mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486105 (CHEMBL2203886) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)N1CCC[C@@]([H])(C1)OCCCc1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C43H58N6O10S/c1-4-28-23-43(28,41(52)47-60(54,55)31-15-16-31)46-39(50)34-20-30-25-49(34)40(51)38(26-11-7-6-8-12-26)45-42(53)48-17-9-14-29(24-48)58-18-10-13-27-19-32-33(21-35(27)56-3)44-37(57-5-2)22-36(32)59-30/h4,19,21-22,26,28-31,34,38H,1,5-18,20,23-25H2,2-3H3,(H,45,53)(H,46,50)(H,47,52)/t28-,29+,30-,34+,38+,43-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50212688 (2-(3,5-dimethyl-benzyl)-5-trifluoromethoxy-2,3-dih...) Show SMILES Cc1cc(C)cc(CN2Cc3cc(OC(F)(F)F)ccc3C2=N)c1 Show InChI InChI=1S/C18H17F3N2O/c1-11-5-12(2)7-13(6-11)9-23-10-14-8-15(24-18(19,20)21)3-4-16(14)17(23)22/h3-8,22H,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to NMDA NR2B receptor				Bioorg Med Chem Lett 17: 3997-4000 (2007) Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486097 (CHEMBL2203875) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCC[C@@]1([H])C\C=C\c1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:23| Show InChI InChI=1S/C43H55N5O10S/c1-4-28-23-43(28,41(51)47-59(53,54)30-17-18-30)46-39(49)33-20-29-24-48(33)40(50)38(26-11-7-6-8-12-26)45-42(52)58-34-16-10-14-25(34)13-9-15-27-19-31-32(21-35(27)55-3)44-37(56-5-2)22-36(31)57-29/h4,9,15,19,21-22,25-26,28-30,33-34,38H,1,5-8,10-14,16-18,20,23-24H2,2-3H3,(H,45,52)(H,46,49)(H,47,51)/b15-9+/t25-,28-,29-,33+,34-,38+,43-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19600 ((2S)-N-[(2R,3R)-3-(benzyloxy)-1-(5-fluoro-2,3-dihy...) Show SMILES COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)[C@@H](C)OCc1ccccc1 |r| Show InChI InChI=1S/C37H46FN3O4/c1-26(45-25-28-12-7-4-8-13-28)34(24-41-21-20-29-22-31(38)17-19-35(29)41)40-37(43)33(18-16-27-10-5-3-6-11-27)39-36(42)30-14-9-15-32(23-30)44-2/h4,7-9,12-15,17,19,22-23,26-27,33-34H,3,5-6,10-11,16,18,20-21,24-25H2,1-2H3,(H,39,42)(H,40,43)/t26-,33+,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 1486-90 (2006) Article DOI: 10.1016/j.bmcl.2005.12.056 BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50069825 (4-Pyrrolidin-3-yl-1H-imidazole | CHEMBL79983) Show SMILES C1CC(CN1)c1cnc[nH]1 Show InChI InChI=1S/C7H11N3/c1-2-8-3-6(1)7-4-9-5-10-7/h4-6,8H,1-3H2,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor				Bioorg Med Chem Lett 8: 243-8 (1999) BindingDB Entry DOI: 10.7270/Q2ST7P0Z
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50212685 (2-benzofuran-7-ylmethyl-5-trifluoromethoxy-2,3-dih...) Show SMILES FC(F)(F)Oc1ccc2C(=N)N(Cc3cccc4ccoc34)Cc2c1 Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)25-14-4-5-15-13(8-14)10-23(17(15)22)9-12-3-1-2-11-6-7-24-16(11)12/h1-8,22H,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to NMDA NR2B receptor				Bioorg Med Chem Lett 17: 3997-4000 (2007) Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486107 (CHEMBL2203873) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCCc1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C41H55N5O10S/c1-6-26-21-41(26,38(49)45-57(51,52)28-14-15-28)44-36(47)31-18-27-22-46(31)37(48)35(24-11-8-9-12-24)43-39(50)55-23-40(3,4)16-10-13-25-17-29-30(19-32(25)53-5)42-34(54-7-2)20-33(29)56-27/h6,17,19-20,24,26-28,31,35H,1,7-16,18,21-23H2,2-5H3,(H,43,50)(H,44,47)(H,45,49)/t26-,27-,31+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease D168V mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50069816 (4-((3R,4R)-4-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@H]1CNC[C@@H]1c1cnc[nH]1 |r| Show InChI InChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)/t6-,7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor				Bioorg Med Chem Lett 8: 243-8 (1999) BindingDB Entry DOI: 10.7270/Q2ST7P0Z
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486094 (CHEMBL2203885) Show SMILES [H][C@@]12CCN(C1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1cc(OCC)nc3cc(OC)c(cc13)\C=C\CO2 |r,t:64| Show InChI InChI=1S/C42H54N6O10S/c1-4-27-22-42(27,40(51)46-59(53,54)30-13-14-30)45-38(49)33-19-29-24-48(33)39(50)37(25-10-7-6-8-11-25)44-41(52)47-16-15-28(23-47)57-17-9-12-26-18-31-32(20-34(26)55-3)43-36(56-5-2)21-35(31)58-29/h4,9,12,18,20-21,25,27-30,33,37H,1,5-8,10-11,13-17,19,22-24H2,2-3H3,(H,44,52)(H,45,49)(H,46,51)/b12-9+/t27-,28-,29-,33+,37+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485491 (CHEMBL2063088) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCC[C@@]1([H])CCCCCc1nc3ccc(OC)cc3cc1O2)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C41H55N5O9S/c1-6-26-22-41(26,38(49)45-56(51,52)29-16-17-29)44-36(47)32-21-28-23-46(32)37(48)35(40(2,3)4)43-39(50)55-33-14-10-12-24(33)11-8-7-9-13-31-34(54-28)20-25-19-27(53-5)15-18-30(25)42-31/h6,15,18-20,24,26,28-29,32-33,35H,1,7-14,16-17,21-23H2,2-5H3,(H,43,50)(H,44,47)(H,45,49)/t24-,26-,28-,32+,33-,35-,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034708 (4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@H]1NCC[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486090 (CHEMBL2203882) Show SMILES [H][C@@]12C[C@]1([H])c1cc3c(O[C@]4([H])C[C@H](N(C4)C(=O)[C@@H](NC(=O)OCC(C)(C)C2)C2CCCC2)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)cc(OCC)nc3cc1OC |r| Show InChI InChI=1S/C42H55N5O10S/c1-6-25-20-42(25,39(50)46-58(52,53)27-12-13-27)45-37(48)32-15-26-21-47(32)38(49)36(23-10-8-9-11-23)44-40(51)56-22-41(3,4)19-24-14-28(24)29-16-30-31(17-33(29)54-5)43-35(55-7-2)18-34(30)57-26/h6,16-18,23-28,32,36H,1,7-15,19-22H2,2-5H3,(H,44,51)(H,45,48)(H,46,50)/t24-,25+,26+,28-,32-,36-,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034708 (4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@H]1NCC[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding afinity against Histamine H3 receptor				J Med Chem 38: 1593-9 (1995) BindingDB Entry DOI: 10.7270/Q2BK1BC1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485494 (CHEMBL2063089) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@@]1([H])C=C)C(=O)NS(=O)(=O)C1CC1)Oc1cc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C39H51N5O9S/c1-6-24-20-39(24,36(47)43-54(49,50)27-13-14-27)42-34(45)30-19-26-21-44(30)35(46)33(38(2,3)4)41-37(48)53-31-17-22(31)10-8-7-9-11-29-32(52-26)18-23-16-25(51-5)12-15-28(23)40-29/h6,12,15-16,18,22,24,26-27,30-31,33H,1,7-11,13-14,17,19-21H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t22-,24-,26-,30+,31-,33-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50309343 (8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12 Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells				Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486092 (CHEMBL2203892) Show SMILES [H][C@]12CCN(C1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3cc1\C=C\CCCO2 |r,t:60| Show InChI InChI=1S/C41H52N6O9S/c1-3-28-22-41(28,39(50)45-57(52,53)32-14-15-32)44-36(48)34-21-31-24-47(34)38(49)35(25-9-6-7-10-25)43-40(51)46-17-16-30(23-46)55-18-8-4-5-11-27-19-26-12-13-29(54-2)20-33(26)42-37(27)56-31/h3,5,11-13,19-20,25,28,30-32,34-35H,1,4,6-10,14-18,21-24H2,2H3,(H,43,51)(H,44,48)(H,45,50)/b11-5+/t28-,30+,31-,34+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153086 (CHEMBL188671 | N-[(1R,2S)-3-(4-Amino-butyl)-2,5-di...) Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H36N4O4/c20-12-8-7-11-17-19(26)21-13-9-5-3-1-2-4-6-10-16(18(25)22-17)14-23(27)15-24/h15-17,27H,1-14,20H2,(H,21,26)(H,22,25)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50069823 (4-((3S,4R)-4-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@H]1CNC[C@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)/t6-,7+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor				Bioorg Med Chem Lett 8: 243-8 (1999) BindingDB Entry DOI: 10.7270/Q2ST7P0Z
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19627 ((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...) Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r| Show InChI InChI=1S/C29H36ClFN4O2/c1-18(16-35-17-29(2,3)21-15-20(31)12-13-25(21)35)32-27(36)24(14-19-8-5-4-6-9-19)34-28-33-23-11-7-10-22(30)26(23)37-28/h7,10-13,15,18-19,24H,4-6,8-9,14,16-17H2,1-3H3,(H,32,36)(H,33,34)/t18-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-50.6	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 1975-80 (2006) Article DOI: 10.1016/j.bmcl.2005.12.095 BindingDB Entry DOI: 10.7270/Q2PZ573M
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50034708 (4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...) Show SMILES C[C@H]1NCC[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor				Bioorg Med Chem Lett 8: 243-8 (1999) BindingDB Entry DOI: 10.7270/Q2ST7P0Z
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM103905 (JNK3 inhibitor 2 | US8563583, C-1) Show SMILES COc1cc(ccc1OCCO)-n1ccc(cc1=O)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C21H18F3NO5/c1-28-19-13-16(4-7-18(19)29-11-10-26)25-9-8-15(12-20(25)27)14-2-5-17(6-3-14)30-21(22,23)24/h2-9,12-13,26H,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human m...				US Patent US8563583 (2013) BindingDB Entry DOI: 10.7270/Q22F7M2Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203311 (4-methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...) Show SMILES Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 Show InChI InChI=1S/C19H24N4O2/c1-15-3-5-17(6-4-15)14-25-19(24)23-11-7-16(8-12-23)13-22-18-20-9-2-10-21-18/h2-6,9-10,16H,7-8,11-14H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50212684 (2-(2-methoxy-benzyl)-5-trifluoromethoxy-2,3-dihydr...) Show SMILES COc1ccccc1CN1Cc2cc(OC(F)(F)F)ccc2C1=N Show InChI InChI=1S/C17H15F3N2O2/c1-23-15-5-3-2-4-11(15)9-22-10-12-8-13(24-17(18,19)20)6-7-14(12)16(22)21/h2-8,21H,9-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to NMDA NR2B receptor				Bioorg Med Chem Lett 17: 3997-4000 (2007) Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203310 (4-ethylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pip...) Show SMILES CCc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 Show InChI InChI=1S/C20H26N4O2/c1-2-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23-19-21-10-3-11-22-19/h3-7,10-11,17H,2,8-9,12-15H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM22868 (11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-b...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand				J Med Chem 34: 457-61 (1991) BindingDB Entry DOI: 10.7270/Q2BV7FK0
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM103907 (JNK3 inhibitor 4 | US8563583, D-4) Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(SCc2ccc(Cl)cc2)cc1=O Show InChI InChI=1S/C23H24ClNO4S/c1-23(2,27)15-29-20-9-8-18(12-21(20)28-3)25-11-10-19(13-22(25)26)30-14-16-4-6-17(24)7-5-16/h4-13,27H,14-15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human m...				US Patent US8563583 (2013) BindingDB Entry DOI: 10.7270/Q22F7M2Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486106 (CHEMBL2203878) Show SMILES [H][C@@]12CCC(C1)CCCc1cc3c(O[C@]4([H])C[C@H](N(C4)C(=O)[C@@H](NC(=O)O2)C2CCCC2)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)cc(OCC)nc3cc1OC |r| Show InChI InChI=1S/C42H55N5O10S/c1-4-27-22-42(27,40(50)46-58(52,53)30-15-16-30)45-38(48)33-19-29-23-47(33)39(49)37(25-10-6-7-11-25)44-41(51)57-28-14-13-24(17-28)9-8-12-26-18-31-32(20-34(26)54-3)43-36(55-5-2)21-35(31)56-29/h4,18,20-21,24-25,27-30,33,37H,1,5-17,19,22-23H2,2-3H3,(H,44,51)(H,45,48)(H,46,50)/t24?,27-,28-,29-,33+,37+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486095 (CHEMBL2203881) Show SMILES [H][C@]12C[C@@]([H])(C1)OC(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1cc(OCC)nc3cc(OC)c(cc13)\C=C\C2 |r,wU:23.26,29.33,20.22,3.3,wD:27.29,10.11,1.0,t:64,(5.81,-51.59,;7.54,-52.27,;8.65,-53.33,;7.58,-54.44,;5.87,-55.19,;6.47,-53.37,;7.61,-55.98,;10.85,-55.91,;10.97,-57.43,;13.58,-54.53,;14.94,-55.27,;14.97,-56.81,;13.76,-57.75,;14.27,-59.2,;15.81,-59.16,;16.25,-57.69,;16.26,-54.47,;17.61,-55.21,;16.22,-52.93,;14.96,-52.03,;15.42,-50.56,;15.95,-48.77,;16.97,-50.54,;17.46,-52.01,;18.8,-52.75,;20.13,-51.96,;18.83,-54.29,;20.18,-55.03,;21.53,-55.78,;20.22,-56.58,;21.48,-57.44,;21.45,-58.98,;21.51,-54.25,;21.47,-52.71,;22.85,-54.99,;24.16,-54.17,;25.7,-54.14,;24.96,-55.49,;24.12,-52.63,;24.85,-51.27,;23.31,-51.32,;14.15,-49.71,;14.09,-48.17,;15.39,-47.34,;15.33,-45.79,;16.63,-44.96,;18,-45.68,;19.3,-44.86,;13.96,-45.09,;12.67,-45.9,;11.31,-45.18,;10,-46,;8.65,-45.28,;8.59,-43.74,;10.06,-47.55,;11.42,-48.27,;12.73,-47.44,;8.76,-48.37,;8.81,-49.91,;7.51,-50.73,)| Show InChI InChI=1S/C41H51N5O10S/c1-4-26-21-41(26,39(49)45-57(51,52)29-13-14-29)44-37(47)32-18-28-22-46(32)38(48)36(24-10-6-7-11-24)43-40(50)56-27-15-23(16-27)9-8-12-25-17-30-31(19-33(25)53-3)42-35(54-5-2)20-34(30)55-28/h4,8,12,17,19-20,23-24,26-29,32,36H,1,5-7,9-11,13-16,18,21-22H2,2-3H3,(H,43,50)(H,44,47)(H,45,49)/b12-8+/t23-,26-,27-,28-,32+,36+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19631 ((2S)-2-(1,3-benzoxazol-2-ylamino)-N-[(2R)-1-(benzy...) Show SMILES Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)[C@H](CC3CCCCC3)Nc3nc4ccccc4o3)CCc2c1 |r| Show InChI InChI=1S/C34H39FN4O3/c35-27-15-16-31-26(20-27)17-18-39(31)21-28(23-41-22-25-11-5-2-6-12-25)36-33(40)30(19-24-9-3-1-4-10-24)38-34-37-29-13-7-8-14-32(29)42-34/h2,5-8,11-16,20,24,28,30H,1,3-4,9-10,17-19,21-23H2,(H,36,40)(H,37,38)/t28-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-49.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 1975-80 (2006) Article DOI: 10.1016/j.bmcl.2005.12.095 BindingDB Entry DOI: 10.7270/Q2PZ573M
					More data for this Ligand-Target Pair

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