Compile Data Set for Download or QSAR

Found 781 hits with Last Name = 'czech' and Initial = 'j'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM12396 (1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C27H28ClN5O2S/c1-16(2)32-11-9-18(10-12-32)30-27(34)26-21(14-29)20-6-4-5-17(3)25(20)33(26)15-19-13-22(35-31-19)23-7-8-24(28)36-23/h4-8,13,16,18H,9-12,15H2,1-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12389 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccc([N+]([O-])=O)c2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26ClN5O4S/c1-15(2)29-10-8-17(9-11-29)27-25(32)20-12-16-4-3-5-19(31(33)34)24(16)30(20)14-18-13-21(35-28-18)22-6-7-23(26)36-22/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12387 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-11-9-19(10-12-30)28-26(32)21-13-18-6-4-5-17(3)25(18)31(21)15-20-14-22(33-29-20)23-7-8-24(27)34-23/h4-8,13-14,16,19H,9-12,15H2,1-3H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	-54.8	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12395 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C26H26ClN5O2S/c1-16(2)31-11-9-17(10-12-31)29-26(33)25-20(14-28)19-5-3-4-6-21(19)32(25)15-18-13-22(34-30-18)23-7-8-24(27)35-23/h3-8,13,16-17H,9-12,15H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50590085 (CHEMBL5187102) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1nc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12384 (2-Carboxyindole Scaffold 35 | 7-Chloro-1-[5-(5-chl...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccc(Cl)c2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-10-8-17(9-11-30)28-25(32)20-12-16-4-3-5-19(26)24(16)31(20)14-18-13-21(33-29-18)22-6-7-23(27)34-22/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397165 (CHEMBL2172149) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C35H47N7O9/c1-2-3-21-50-35(49)40-19-17-39(18-20-40)34(48)26(14-15-31(44)45)37-32(46)27-22-30(42(38-27)25-11-5-4-6-12-25)51-23-29(43)41-16-8-13-28(41)33(47)36-24-9-7-10-24/h4-6,11-12,22,24,26,28H,2-3,7-10,13-21,23H2,1H3,(H,36,47)(H,37,46)(H,44,45)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM15867 (1-{[(5-chloropyridin-2-yl)carbamoyl]methyl}-N-[1-(...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C24H28ClN5O2/c1-16(2)29-11-9-19(10-12-29)27-24(32)21-13-17-5-3-4-6-20(17)30(21)15-23(31)28-22-8-7-18(25)14-26-22/h3-8,13-14,16,19H,9-12,15H2,1-2H3,(H,27,32)(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				Bioorg Med Chem Lett 14: 4191-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.020 BindingDB Entry DOI: 10.7270/Q22805WQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12388 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2c(C)ccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C27H31ClN4O2S/c1-16(2)31-11-9-19(10-12-31)29-27(33)22-14-21-17(3)5-6-18(4)26(21)32(22)15-20-13-23(34-30-20)24-7-8-25(28)35-24/h5-8,13-14,16,19H,9-12,15H2,1-4H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12381 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)[N+]([O-])=O Show InChI InChI=1S/C25H26ClN5O4S/c1-15(2)29-9-7-17(8-10-29)27-25(32)21-12-16-11-19(31(33)34)3-4-20(16)30(21)14-18-13-22(35-28-18)23-5-6-24(26)36-23/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397156 (CHEMBL2172129) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C35H47N11O7/c1-2-3-21-52-35(51)44-19-17-43(18-20-44)34(50)26(14-15-29-38-41-42-39-29)37-32(48)27-22-31(46(40-27)25-11-5-4-6-12-25)53-23-30(47)45-16-8-13-28(45)33(49)36-24-9-7-10-24/h4-6,11-12,22,24,26,28H,2-3,7-10,13-21,23H2,1H3,(H,36,49)(H,37,48)(H,38,39,41,42)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12379 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)C#N Show InChI InChI=1S/C26H26ClN5O2S/c1-16(2)31-9-7-19(8-10-31)29-26(33)22-12-18-11-17(14-28)3-4-21(18)32(22)15-20-13-23(34-30-20)24-5-6-25(27)35-24/h3-6,11-13,16,19H,7-10,15H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12391 (2-Carboxyindole Scaffold 23 | 3-chloro-1-{[5-(5-ch...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(Cl)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(27)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(26)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12392 (2-Carboxyindole Scaffold 24 | 3-Bromo-1-[5-(5-chlo...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(Br)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26BrClN4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(26)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(27)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12390 (1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(F)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26ClFN4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(27)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(26)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12372 (1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50590072 (CHEMBL3904655) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Br)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12400 (1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12400 (1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				Bioorg Med Chem Lett 14: 4191-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.020 BindingDB Entry DOI: 10.7270/Q22805WQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM15862 (1-{[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]meth...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(no1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)22-13-17-5-3-4-6-21(17)30(22)15-19-14-20(28-32-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				Bioorg Med Chem Lett 14: 4191-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.020 BindingDB Entry DOI: 10.7270/Q22805WQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12372 (1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				Bioorg Med Chem Lett 14: 4191-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.020 BindingDB Entry DOI: 10.7270/Q22805WQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12372 (1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				Bioorg Med Chem Lett 14: 4197-201 (2004) Article DOI: 10.1016/j.bmcl.2004.06.019 BindingDB Entry DOI: 10.7270/Q2610XKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12400 (1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12393 (1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-12-10-18(11-13-30)28-26(32)25-17(3)20-6-4-5-7-21(20)31(25)15-19-14-22(33-29-19)23-8-9-24(27)34-23/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12385 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2c(C)cccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-11-9-18(10-12-30)28-26(32)22-14-20-17(3)5-4-6-21(20)31(22)15-19-13-23(33-29-19)24-7-8-25(27)34-24/h4-8,13-14,16,18H,9-12,15H2,1-3H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12374 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(F)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26ClFN4O2S/c1-15(2)30-9-7-18(8-10-30)28-25(32)21-12-16-11-17(27)3-4-20(16)31(21)14-19-13-22(33-29-19)23-5-6-24(26)34-23/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12372 (1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397166 (CHEMBL2172148) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-2-20-49-34(48)39-18-16-38(17-19-39)33(47)25(13-14-30(43)44)36-31(45)26-21-29(41(37-26)24-10-4-3-5-11-24)50-22-28(42)40-15-7-12-27(40)32(46)35-23-8-6-9-23/h3-5,10-11,21,23,25,27H,2,6-9,12-20,22H2,1H3,(H,35,46)(H,36,45)(H,43,44)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM15863 (1-{[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-y...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1nnc(s1)-c1ccc(Cl)s1 Show InChI InChI=1S/C24H26ClN5OS2/c1-15(2)29-11-9-17(10-12-29)26-23(31)19-13-16-5-3-4-6-18(16)30(19)14-22-27-28-24(33-22)20-7-8-21(25)32-20/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4	-47.9	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				Bioorg Med Chem Lett 14: 4191-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.020 BindingDB Entry DOI: 10.7270/Q22805WQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50590086 (CHEMBL5192536) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccnc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397157 (CHEMBL2172128) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H43N11O7/c1-2-50-33(49)42-18-16-41(17-19-42)32(48)24(13-14-27-36-39-40-37-27)35-30(46)25-20-29(44(38-25)23-10-4-3-5-11-23)51-21-28(45)43-15-7-12-26(43)31(47)34-22-8-6-9-22/h3-5,10-11,20,22,24,26H,2,6-9,12-19,21H2,1H3,(H,34,47)(H,35,46)(H,36,37,39,40)/t24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12375 (2-Carboxyindole Scaffold 26 | 5-Chloro-1-[5-(5-chl...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(Cl)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-9-7-18(8-10-30)28-25(32)21-12-16-11-17(26)3-4-20(16)31(21)14-19-13-22(33-29-19)23-5-6-24(27)34-23/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5	-47.4	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397164 (CHEMBL2172150) Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OC1CCC1 |r| Show InChI InChI=1S/C35H45N7O9/c43-29(41-16-6-13-28(41)33(47)36-23-7-4-8-23)22-50-30-21-27(38-42(30)24-9-2-1-3-10-24)32(46)37-26(14-15-31(44)45)34(48)39-17-19-40(20-18-39)35(49)51-25-11-5-12-25/h1-3,9-10,21,23,25-26,28H,4-8,11-20,22H2,(H,36,47)(H,37,46)(H,44,45)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397168 (CHEMBL2172146) Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H45N7O9/c46-32(44-18-8-15-31(44)36(50)39-27-11-7-12-27)25-53-33-23-30(41-45(33)28-13-5-2-6-14-28)35(49)40-29(16-17-34(47)48)37(51)42-19-21-43(22-20-42)38(52)54-24-26-9-3-1-4-10-26/h1-6,9-10,13-14,23,27,29,31H,7-8,11-12,15-22,24-25H2,(H,39,50)(H,40,49)(H,47,48)/t29-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50590082 (CHEMBL5175184) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397152 (CHEMBL2172133) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C35H49N7O8/c1-2-3-22-49-35(48)40-19-17-39(18-20-40)34(47)27(14-9-21-43)37-32(45)28-23-31(42(38-28)26-12-5-4-6-13-26)50-24-30(44)41-16-8-15-29(41)33(46)36-25-10-7-11-25/h4-6,12-13,23,25,27,29,43H,2-3,7-11,14-22,24H2,1H3,(H,36,46)(H,37,45)/t27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12383 (2-Carboxyindole Scaffold 34 | 6-Chloro-1-[5-(5-chl...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccc(Cl)cc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-9-7-18(8-10-30)28-25(32)21-11-16-3-4-17(26)12-20(16)31(21)14-19-13-22(33-29-19)23-5-6-24(27)34-23/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7	-46.5	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12397 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)S(C)(=O)=O Show InChI InChI=1S/C27H28ClN5O4S2/c1-16(2)32-10-8-17(9-11-32)30-27(34)26-21(14-29)20-13-19(39(3,35)36)4-5-22(20)33(26)15-18-12-23(37-31-18)24-6-7-25(28)38-24/h4-7,12-13,16-17H,8-11,15H2,1-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50590073 (CHEMBL5175600) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(I)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12382 (2-Carboxyindole Scaffold 33 | 4-Chloro-1-[5-(5-chl...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2c(Cl)cccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-10-8-16(9-11-30)28-25(32)21-13-18-19(26)4-3-5-20(18)31(21)14-17-12-22(33-29-17)23-6-7-24(27)34-23/h3-7,12-13,15-16H,8-11,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7	-46.5	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397144 (CHEMBL2172272) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H43N7O9/c1-2-48-33(47)38-18-16-37(17-19-38)32(46)24(13-14-29(42)43)35-30(44)25-20-28(40(36-25)23-10-4-3-5-11-23)49-21-27(41)39-15-7-12-26(39)31(45)34-22-8-6-9-22/h3-5,10-11,20,22,24,26H,2,6-9,12-19,21H2,1H3,(H,34,45)(H,35,44)(H,42,43)/t24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397143 (CHEMBL2172140) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H43N7O7/c1-2-3-19-45-32(44)37-17-15-36(16-18-37)27(40)21-33-30(42)25-20-29(39(35-25)24-11-5-4-6-12-24)46-22-28(41)38-14-8-13-26(38)31(43)34-23-9-7-10-23/h4-6,11-12,20,23,26H,2-3,7-10,13-19,21-22H2,1H3,(H,33,42)(H,34,43)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397163 (CHEMBL2172151) Show SMILES CCOC(=O)N1CCN([C@H](C)C1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)38-17-18-39(22(2)20-38)33(47)25(14-15-30(43)44)36-31(45)26-19-29(41(37-26)24-11-5-4-6-12-24)50-21-28(42)40-16-8-13-27(40)32(46)35-23-9-7-10-23/h4-6,11-12,19,22-23,25,27H,3,7-10,13-18,20-21H2,1-2H3,(H,35,46)(H,36,45)(H,43,44)/t22-,25+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50590087 (CHEMBL5179837) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1n(Cc2cc(on2)-c2ccc(Cl)s2)nc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12378 (1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(C)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-10-8-19(9-11-30)28-26(32)22-13-18-12-17(3)4-5-21(18)31(22)15-20-14-23(33-29-20)24-6-7-25(27)34-24/h4-7,12-14,16,19H,8-11,15H2,1-3H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	9	-45.9	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12376 (2-Carboxyindole Scaffold 27 | 5-Bromo-1-[5-(5-chlo...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(Br)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26BrClN4O2S/c1-15(2)30-9-7-18(8-10-30)28-25(32)21-12-16-11-17(26)3-4-20(16)31(21)14-19-13-22(33-29-19)23-5-6-24(27)34-23/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	9	-45.9	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50590097 (CHEMBL5187449) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1nn(Cc2cc(on2)-c2ccc(Cl)s2)c2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13662 (3-Oxybenzamide 48 | 4-chloro-3-[2-(2,4-dichlorophe...) Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H28Cl3N3O3/c1-35-24-14-20(15-25(26(24)30)36-13-8-19-2-3-21(28)16-23(19)29)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 14: 2801-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.059 BindingDB Entry DOI: 10.7270/Q2XS5WW7
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50590083 (CHEMBL5192808) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccnc2n1CC(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	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.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50148952 (CHEMBL429152 | N-[4-(1-{2-[3-(4-Carbamimidoyl-phen...) Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C31H30N6O4/c1-20(35-28(38)19-34-31(40)37-25-16-12-22(13-17-25)29(32)33)21-10-14-24(15-11-21)36-30(39)23-6-5-9-27(18-23)41-26-7-3-2-4-8-26/h2-18,20H,19H2,1H3,(H3,32,33)(H,35,38)(H,36,39)(H2,34,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description In vitro inhibition of human coagulation factor VIIa				Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 781 total )  |  Next  |  Last  >>

Jump to: