Compile Data Set for Download or QSAR

Found 223 hits with Last Name = 'clark' and Initial = 'jm'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474902 (CHEMBL187309) Show SMILES Clc1ccc(cn1)C1CC2CCC1CN2 |THB:4:7:14.13:11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-4-2-9(7-15-12)11-5-10-3-1-8(11)6-14-10/h2,4,7-8,10-11,14H,1,3,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes				Bioorg Med Chem Lett 14: 5573-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.058 BindingDB Entry DOI: 10.7270/Q2XG9TWT
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM16127 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM16127 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5	-46.9	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM16304 (2-(1H-1,3-benzodiazol-2-ylcarbonyl)-1H-1,3-benzodi...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C16H12N6O/c17-14(18)8-5-6-11-12(7-8)22-16(21-11)13(23)15-19-9-3-1-2-4-10(9)20-15/h1-7H,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.20	-46.8	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.60	-46.6	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50605406 (CHEMBL5190935) Show SMILES [H][C@@]1(CC[C@@]2([H])C3[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCC(CC1)Oc1ccc(cc1)B(O)O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00368 BindingDB Entry DOI: 10.7270/Q25H7MCC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM16127 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	23	-43.2	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM16305 (2-(1H-imidazol-2-ylmethyl)-1H-1,3-benzodiazole-6-c...) Show SMILES NC(=N)c1ccc2nc(Cc3ncc[nH]3)[nH]c2c1 Show InChI InChI=1S/C12H12N6/c13-12(14)7-1-2-8-9(5-7)18-11(17-8)6-10-15-3-4-16-10/h1-5H,6H2,(H3,13,14)(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	23.1	-43.1	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	23.5	-43.1	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50605405 (CHEMBL5196449) Show SMILES [K;v0+].[H][C@@]1([#6]-[#6][C@@]2([H])[#6]3-[#6@@H](-[#8])-[#6][C@]4([H])[#6]-[#6@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-c1ccc(cc1)[B-](F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00368 BindingDB Entry DOI: 10.7270/Q25H7MCC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120038 (2-{[2-({6-[1-(1-Carboxy-2-phosphono-ethylcarbamoyl...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C27H30F2N7O16P3/c1-36-19-7-12(21(38)30-16(8-53(44,45)46)22(39)32-18(24(42)43)10-55(50,51)52)3-5-14(19)35-26(36)27(28,29)25-33-13-4-2-11(6-15(13)34-25)20(37)31-17(23(40)41)9-54(47,48)49/h2-7,16-18H,8-10H2,1H3,(H,30,38)(H,31,37)(H,32,39)(H,33,34)(H,40,41)(H,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM16308 (2-(isoquinolin-1-yl)-1H-1,3-benzodiazole-6-carboxi...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1nccc2ccccc12 Show InChI InChI=1S/C17H13N5/c18-16(19)11-5-6-13-14(9-11)22-17(21-13)15-12-4-2-1-3-10(12)7-8-20-15/h1-9H,(H3,18,19)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	41	-41.7	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM16304 (2-(1H-1,3-benzodiazol-2-ylcarbonyl)-1H-1,3-benzodi...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C16H12N6O/c17-14(18)8-5-6-11-12(7-8)22-16(21-11)13(23)15-19-9-3-1-2-4-10(9)20-15/h1-7H,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	-41.3	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	69.5	-40.4	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120023 (2-[(2-{[6-(1-Carboxy-2-phosphono-ethylcarbamoyl)-1...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H24F2N6O12P2/c1-32-17-7-11(19(34)28-16(21(37)38)9-46(42,43)44)3-5-13(17)31-23(32)24(25,26)22-29-12-4-2-10(6-14(12)30-22)18(33)27-15(20(35)36)8-45(39,40)41/h2-7,15-16H,8-9H2,1H3,(H,27,33)(H,28,34)(H,29,30)(H,35,36)(H,37,38)(H2,39,40,41)(H2,42,43,44)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM16127 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	90	-39.8	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120050 (2-({2-[6-(1-Carboxy-2-phosphono-ethylcarbamoyl)-1-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(=O)NC(CP(O)(O)=O)C(O)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H26N6O12P2/c1-30-18-7-12(22(32)29-17(24(35)36)10-44(40,41)42)3-5-14(18)27-20(30)8-19-25-13-4-2-11(6-15(13)26-19)21(31)28-16(23(33)34)9-43(37,38)39/h2-7,16-17H,8-10H2,1H3,(H,25,26)(H,28,31)(H,29,32)(H,33,34)(H,35,36)(H2,37,38,39)(H2,40,41,42)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM16304 (2-(1H-1,3-benzodiazol-2-ylcarbonyl)-1H-1,3-benzodi...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C16H12N6O/c17-14(18)8-5-6-11-12(7-8)22-16(21-11)13(23)15-19-9-3-1-2-4-10(9)20-15/h1-7H,(H3,17,18)(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	101	-39.5	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120012 (2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-cyclopropylm...) Show SMILES OC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(CC3CC3)c2c1 Show InChI InChI=1S/C23H24N5O6P/c29-22(27-18(23(30)31)12-35(32,33)34)14-7-8-17-19(9-14)28(11-13-5-6-13)21(26-17)10-20-24-15-3-1-2-4-16(15)25-20/h1-4,7-9,13,18H,5-6,10-12H2,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120036 (2-{[2-(5-Hydroxy-1H-benzoimidazol-2-ylmethyl)-3-me...) Show SMILES Cn1c(Cc2nc3ccc(O)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H20N5O7P/c1-25-16-6-10(19(27)24-15(20(28)29)9-33(30,31)32)2-4-13(16)23-18(25)8-17-21-12-5-3-11(26)7-14(12)22-17/h2-7,15,26H,8-9H2,1H3,(H,21,22)(H,24,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120048 (2-{[2-(5-Methoxy-1H-benzoimidazol-2-ylmethyl)-3-me...) Show SMILES COc1ccc2nc(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)[nH]c2c1 Show InChI InChI=1S/C21H22N5O7P/c1-26-17-7-11(20(27)25-16(21(28)29)10-34(30,31)32)3-5-14(17)24-19(26)9-18-22-13-6-4-12(33-2)8-15(13)23-18/h3-8,16H,9-10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50103860 (2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120027 (2-{[3-Methyl-2-(5,6,7-trifluoro-1H-benzoimidazol-2...) Show SMILES Cn1c(Cc2nc3c(F)c(F)c(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H17F3N5O6P/c1-28-13-4-8(19(29)26-12(20(30)31)7-35(32,33)34)2-3-10(13)25-15(28)6-14-24-11-5-9(21)16(22)17(23)18(11)27-14/h2-5,12H,6-7H2,1H3,(H,24,27)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120014 (2-{[2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...) Show SMILES Cn1c(Cc2nc3cc(F)c(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-16-4-9(19(28)26-15(20(29)30)8-34(31,32)33)2-3-12(16)25-18(27)7-17-23-13-5-10(21)11(22)6-14(13)24-17/h2-6,15H,7-8H2,1H3,(H,23,24)(H,26,28)(H,29,30)(H2,31,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120015 (2-({2-[1-(1H-Benzoimidazol-2-yl)-ethyl]-3-methyl-3...) Show SMILES CC(c1nc2ccccc2[nH]1)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H22N5O6P/c1-11(18-22-13-5-3-4-6-14(13)23-18)19-24-15-8-7-12(9-17(15)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-9,11,16H,10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120047 (2-{[3-Methyl-2-(5-methyl-1H-benzoimidazol-2-ylmeth...) Show SMILES Cc1ccc2nc(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)[nH]c2c1 Show InChI InChI=1S/C21H22N5O6P/c1-11-3-5-13-15(7-11)23-18(22-13)9-19-24-14-6-4-12(8-17(14)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-8,16H,9-10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120013 (2-{[2-(4,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...) Show SMILES Cn1c(Cc2nc3c(F)cc(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-4-9(19(28)25-14(20(29)30)8-34(31,32)33)2-3-12(15)24-17(27)7-16-23-13-6-10(21)5-11(22)18(13)26-16/h2-6,14H,7-8H2,1H3,(H,23,26)(H,25,28)(H,29,30)(H2,31,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120046 (2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]-3-...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-8-10(16(28)23-14(17(29)30)9-34(31,32)33)6-7-13(15)26-19(27)20(21,22)18-24-11-4-2-3-5-12(11)25-18/h2-8,14H,9H2,1H3,(H,23,28)(H,24,25)(H,29,30)(H2,31,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120020 (2-{[2-(4,5-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...) Show SMILES Cn1c(Cc2nc3ccc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-14-6-9(19(28)25-13(20(29)30)8-34(31,32)33)2-4-11(14)24-16(27)7-15-23-12-5-3-10(21)17(22)18(12)26-15/h2-6,13H,7-8H2,1H3,(H,23,26)(H,25,28)(H,29,30)(H2,31,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120033 (2-[(2-{Difluoro-[6-(1-methoxycarbonyl-2-phosphono-...) Show SMILES COC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc([nH]c2c1)C(F)(F)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(=O)OC Show InChI InChI=1S/C26H28F2N6O12P2/c1-34-19-9-13(21(36)30-18(23(38)46-3)11-48(42,43)44)5-7-15(19)33-25(34)26(27,28)24-31-14-6-4-12(8-16(14)32-24)20(35)29-17(22(37)45-2)10-47(39,40)41/h4-9,17-18H,10-11H2,1-3H3,(H,29,35)(H,30,36)(H,31,32)(H2,39,40,41)(H2,42,43,44)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	277	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120016 (2-{[2-(5-Fluoro-1H-benzoimidazol-2-ylmethyl)-3-met...) Show SMILES Cn1c(Cc2nc3ccc(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H19FN5O6P/c1-26-16-6-10(19(27)25-15(20(28)29)9-33(30,31)32)2-4-13(16)24-18(26)8-17-22-12-5-3-11(21)7-14(12)23-17/h2-7,15H,8-9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120018 (2-{[3-Methyl-2-(4,5,6,7-tetrafluoro-1H-benzoimidaz...) Show SMILES Cn1c(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H16F4N5O6P/c1-29-10-4-7(19(30)26-9(20(31)32)6-36(33,34)35)2-3-8(10)25-12(29)5-11-27-17-15(23)13(21)14(22)16(24)18(17)28-11/h2-4,9H,5-6H2,1H3,(H,26,30)(H,27,28)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM16307 (2-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-6-carbo...) Show SMILES NC(=N)c1ccc2nc(Cc3ccccn3)[nH]c2c1 Show InChI InChI=1S/C14H13N5/c15-14(16)9-4-5-11-12(7-9)19-13(18-11)8-10-3-1-2-6-17-10/h1-7H,8H2,(H3,15,16)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	310	-36.8	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM16309 (2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximid...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12 Show InChI InChI=1S/C17H13N5/c18-16(19)11-6-7-13-14(9-11)22-17(21-13)12-5-1-3-10-4-2-8-20-15(10)12/h1-9H,(H3,18,19)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	321	-36.7	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120019 (2-{[3-Methyl-2-(4,6,7-trifluoro-1H-benzoimidazol-2...) Show SMILES Cn1c(Cc2nc3c(F)cc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H17F3N5O6P/c1-28-13-4-8(19(29)25-12(20(30)31)7-35(32,33)34)2-3-11(13)24-15(28)6-14-26-17-10(22)5-9(21)16(23)18(17)27-14/h2-5,12H,6-7H2,1H3,(H,25,29)(H,26,27)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120031 (2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-isobutyl-3H-...) Show SMILES CC(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C23H26N5O6P/c1-13(2)11-28-19-9-14(22(29)27-18(23(30)31)12-35(32,33)34)7-8-17(19)26-21(28)10-20-24-15-5-3-4-6-16(15)25-20/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120035 (2-{[2-(5-Chloro-1H-benzoimidazol-2-ylmethyl)-3-met...) Show SMILES Cn1c(Cc2nc3ccc(Cl)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H19ClN5O6P/c1-26-16-6-10(19(27)25-15(20(28)29)9-33(30,31)32)2-4-13(16)24-18(26)8-17-22-12-5-3-11(21)7-14(12)23-17/h2-7,15H,8-9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120034 (2-{[3-Methyl-2-(5-trifluoromethyl-1H-benzoimidazol...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(F)(F)F)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H19F3N5O6P/c1-29-16-6-10(19(30)28-15(20(31)32)9-36(33,34)35)2-4-13(16)27-18(29)8-17-25-12-5-3-11(21(22,23)24)7-14(12)26-17/h2-7,15H,8-9H2,1H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120051 (2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-methyl-3H-be...) Show SMILES Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H20N5O6P/c1-25-16-8-11(19(26)24-15(20(27)28)10-32(29,30)31)6-7-14(16)23-18(25)9-17-21-12-4-2-3-5-13(12)22-17/h2-8,15H,9-10H2,1H3,(H,21,22)(H,24,26)(H,27,28)(H2,29,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120052 (2-({2-[(1H-Benzoimidazol-2-yl)-fluoro-methyl]-3-me...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H19FN5O6P/c1-26-15-8-10(19(27)25-14(20(28)29)9-33(30,31)32)6-7-13(15)24-18(26)16(21)17-22-11-4-2-3-5-12(11)23-17/h2-8,14,16H,9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120042 (2-{[2-(4-Methoxy-1H-benzoimidazol-2-ylmethyl)-3-me...) Show SMILES COc1cccc2[nH]c(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc12 Show InChI InChI=1S/C21H22N5O7P/c1-26-15-8-11(20(27)24-14(21(28)29)10-34(30,31)32)6-7-12(15)23-18(26)9-17-22-13-4-3-5-16(33-2)19(13)25-17/h3-8,14H,9-10H2,1-2H3,(H,22,25)(H,24,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120030 (2-({2-[Fluoro-(4,6,7-trifluoro-1H-benzoimidazol-2-...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)c(F)c2[nH]1 Show InChI InChI=1S/C20H16F4N5O6P/c1-29-12-4-7(19(30)26-11(20(31)32)6-36(33,34)35)2-3-10(12)25-18(29)14(24)17-27-15-9(22)5-8(21)13(23)16(15)28-17/h2-5,11,14H,6H2,1H3,(H,26,30)(H,27,28)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120045 (2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-(2,2-dimethy...) Show SMILES CC(C)(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H28N5O6P/c1-24(2,3)13-29-19-10-14(22(30)28-18(23(31)32)12-36(33,34)35)8-9-17(19)27-21(29)11-20-25-15-6-4-5-7-16(15)26-20/h4-10,18H,11-13H2,1-3H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120037 (2-({2-[(4,6-Difluoro-1H-benzoimidazol-2-yl)-fluoro...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)cc2[nH]1 Show InChI InChI=1S/C20H17F3N5O6P/c1-28-14-4-8(19(29)26-13(20(30)31)7-35(32,33)34)2-3-11(14)25-18(28)15(23)17-24-12-6-9(21)5-10(22)16(12)27-17/h2-6,13,15H,7H2,1H3,(H,24,27)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM16305 (2-(1H-imidazol-2-ylmethyl)-1H-1,3-benzodiazole-6-c...) Show SMILES NC(=N)c1ccc2nc(Cc3ncc[nH]3)[nH]c2c1 Show InChI InChI=1S/C12H12N6/c13-12(14)7-1-2-8-9(5-7)18-11(17-8)6-10-15-3-4-16-10/h1-5H,6H2,(H3,13,14)(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	666	-34.9	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM16306 (2-(pyridin-2-yl)-1H-1,3-benzodiazole-6-carboximida...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccn1 Show InChI InChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	721	-34.7	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120026 (2-[2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H24F2N6O10P2/c1-31-17-8-11(6-7-14(17)30-22(31)23(24,25)21-28-12-4-2-3-5-13(12)29-21)18(32)26-15(9-42(36,37)38)19(33)27-16(20(34)35)10-43(39,40)41/h2-8,15-16H,9-10H2,1H3,(H,26,32)(H,27,33)(H,28,29)(H,34,35)(H2,36,37,38)(H2,39,40,41)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120028 (2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-(3-methyl-bu...) Show SMILES CC(C)CCn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H28N5O6P/c1-14(2)9-10-29-20-11-15(23(30)28-19(24(31)32)13-36(33,34)35)7-8-18(20)27-22(29)12-21-25-16-5-3-4-6-17(16)26-21/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120038 (2-{[2-({6-[1-(1-Carboxy-2-phosphono-ethylcarbamoyl...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C27H30F2N7O16P3/c1-36-19-7-12(21(38)30-16(8-53(44,45)46)22(39)32-18(24(42)43)10-55(50,51)52)3-5-14(19)35-26(36)27(28,29)25-33-13-4-2-11(6-15(13)34-25)20(37)31-17(23(40)41)9-54(47,48)49/h2-7,16-18H,8-10H2,1H3,(H,30,38)(H,31,37)(H,32,39)(H,33,34)(H,40,41)(H,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50410910 (CHEMBL377651) Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair

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