Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 2292   

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))	BDBM18991 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C31H31N5O4/c1-40-25-12-10-23(11-13-25)36-29-27(28(33-36)30(32)38)15-17-35(31(29)39)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-34-16-14-24(37)19-34/h2-13,24,37H,14-19H2,1H3,(H2,32,38)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0700	-57.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19010 (6-(4-{2-[(diethylamino)methyl]phenyl}phenyl)-1-(4-...) Show SMILES CCN(CC)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C31H33N5O3/c1-4-34(5-2)20-22-8-6-7-9-26(22)21-10-12-23(13-11-21)35-19-18-27-28(30(32)37)33-36(29(27)31(35)38)24-14-16-25(39-3)17-15-24/h6-17H,4-5,18-20H2,1-3H3,(H2,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19008 (1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]p...) Show SMILES CNCc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C28H27N5O3/c1-30-17-19-5-3-4-6-23(19)18-7-9-20(10-8-18)32-16-15-24-25(27(29)34)31-33(26(24)28(32)35)21-11-13-22(36-2)14-12-21/h3-14,30H,15-17H2,1-2H3,(H2,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12743 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	-55.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19020 (1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-35-19-11-9-18(10-12-19)32-22-20(23(29-32)25(26,27)28)13-15-31(24(22)34)17-7-5-16(6-8-17)30-14-3-2-4-21(30)33/h5-12H,2-4,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19009 (6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(C)C Show InChI InChI=1S/C29H29N5O3/c1-32(2)18-20-6-4-5-7-24(20)19-8-10-21(11-9-19)33-17-16-25-26(28(30)35)31-34(27(25)29(33)36)22-12-14-23(37-3)15-13-22/h4-15H,16-18H2,1-3H3,(H2,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18988 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H32N4O5S/c1-40-26-13-11-24(12-14-26)35-29-28(30(32-35)41(2,38)39)16-18-34(31(29)37)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-33-17-15-25(36)20-33/h3-14,25,36H,15-20H2,1-2H3/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.25	-54.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19004 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(Cn2cncn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)20-38-22-34-21-35-38)15-17-39(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)18-37-16-14-27(41)19-37/h2-13,21-22,27,41H,14-20H2,1H3/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.25	-54.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19012 (6-(4-{2-[(4-hydroxypiperidin-1-yl)methyl]phenyl}ph...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCC(O)CC1 Show InChI InChI=1S/C32H33N5O4/c1-41-26-12-10-24(11-13-26)37-30-28(29(34-37)31(33)39)16-19-36(32(30)40)23-8-6-21(7-9-23)27-5-3-2-4-22(27)20-35-17-14-25(38)15-18-35/h2-13,25,38H,14-20H2,1H3,(H2,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19011 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCCC1 Show InChI InChI=1S/C31H31N5O3/c1-39-25-14-12-24(13-15-25)36-29-27(28(33-36)30(32)37)16-19-35(31(29)38)23-10-8-21(9-11-23)26-7-3-2-6-22(26)20-34-17-4-5-18-34/h2-3,6-15H,4-5,16-20H2,1H3,(H2,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18999 (3-(dimethylamino)-6-[4-(2-{[(3R)-3-hydroxypyrrolid...) Show SMILES COc1ccc(cc1)-n1nc(N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C32H35N5O3/c1-34(2)31-29-17-19-36(32(39)30(29)37(33-31)25-12-14-27(40-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-35-18-16-26(38)21-35/h4-15,26,38H,16-21H2,1-3H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.310	-53.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18994 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C31H29N5O3/c1-39-26-12-10-24(11-13-26)36-30-28(29(18-32)33-36)15-17-35(31(30)38)23-8-6-21(7-9-23)27-5-3-2-4-22(27)19-34-16-14-25(37)20-34/h2-13,25,37H,14-17,19-20H2,1H3/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.330	-53.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19013 (6-[4-(2-{[bis(2-hydroxyethyl)amino]methyl}phenyl)p...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(CCO)CCO Show InChI InChI=1S/C31H33N5O5/c1-41-25-12-10-24(11-13-25)36-29-27(28(33-36)30(32)39)14-15-35(31(29)40)23-8-6-21(7-9-23)26-5-3-2-4-22(26)20-34(16-18-37)17-19-38/h2-13,37-38H,14-20H2,1H3,(H2,32,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19021 (1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCCC1=O)C(F)(F)F Show InChI InChI=1S/C26H25F3N4O3/c1-36-20-12-10-19(11-13-20)33-23-21(24(30-33)26(27,28)29)14-16-32(25(23)35)18-8-6-17(7-9-18)31-15-4-2-3-5-22(31)34/h6-13H,2-5,14-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19003 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(Cn2nccn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)22-39-34-16-17-35-39)15-19-38(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-18-14-27(41)21-37/h2-13,16-17,27,41H,14-15,18-22H2,1H3/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.480	-52.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19017 (N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N(C)C(C)=O)C(F)(F)F Show InChI InChI=1S/C23H21F3N4O3/c1-14(31)28(2)15-4-6-16(7-5-15)29-13-12-19-20(22(29)32)30(27-21(19)23(24,25)26)17-8-10-18(33-3)11-9-17/h4-11H,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19022 (1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N(C)C(C)=O Show InChI InChI=1S/C23H23N5O4/c1-14(29)26(2)15-4-6-16(7-5-15)27-13-12-19-20(22(24)30)25-28(21(19)23(27)31)17-8-10-18(32-3)11-9-17/h4-11H,12-13H2,1-3H3,(H2,24,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19001 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C31H30N8O3/c1-42-25-12-10-23(11-13-25)39-29-27(28(34-39)30-32-35-36-33-30)15-17-38(31(29)41)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-37-16-14-24(40)19-37/h2-13,24,40H,14-19H2,1H3,(H,32,33,35,36)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.630	-52.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19002 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(Cn2ccnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(35-40)22-38-19-16-34-36-38)15-18-39(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-17-14-27(41)21-37/h2-13,16,19,27,41H,14-15,17-18,20-22H2,1H3/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.670	-51.8	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19005 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(Cn2cnnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(34-40)20-38-21-33-35-36-38)15-17-39(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.850	-51.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19007 (6-{4-[2-(aminomethyl)phenyl]phenyl}-1-(4-methoxyph...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN Show InChI InChI=1S/C27H25N5O3/c1-35-21-12-10-20(11-13-21)32-25-23(24(30-32)26(29)33)14-15-31(27(25)34)19-8-6-17(7-9-19)22-5-3-2-4-18(22)16-28/h2-13H,14-16,28H2,1H3,(H2,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19006 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(Cn2ncnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(35-40)20-39-34-21-33-36-39)15-17-38(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	-50.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18998 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES CNc1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H33N5O3/c1-32-30-28-16-18-35(31(38)29(28)36(33-30)24-11-13-26(39-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-34-17-15-25(37)20-34/h3-14,25,37H,15-20H2,1-2H3,(H,32,33)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	-49.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18993 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C(=O)N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C33H35N5O4/c1-35(2)32(40)30-29-17-19-37(33(41)31(29)38(34-30)25-12-14-27(42-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-36-18-16-26(39)21-36/h4-15,26,39H,16-21H2,1-3H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	-49.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18997 (Pyrazolopyridinone analogue, 23 | tert-butyl N-{6-...) Show SMILES COc1ccc(cc1)-n1nc(N(C)C(=O)OC(C)(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C36H41N5O5/c1-36(2,3)46-35(44)38(4)33-31-19-21-40(34(43)32(31)41(37-33)27-14-16-29(45-5)17-15-27)26-12-10-24(11-13-26)30-9-7-6-8-25(30)22-39-20-18-28(42)23-39/h6-17,28,42H,18-23H2,1-5H3/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19019 (1-(4-methoxyphenyl)-6-[4-(piperidin-1-yl)phenyl]-3...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O2/c1-34-20-11-9-19(10-12-20)32-22-21(23(29-32)25(26,27)28)13-16-31(24(22)33)18-7-5-17(6-8-18)30-14-3-2-4-15-30/h5-12H,2-4,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19000 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1nnnn1C |r| Show InChI InChI=1S/C32H32N8O3/c1-37-31(33-35-36-37)29-28-16-18-39(32(42)30(28)40(34-29)24-11-13-26(43-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-38-17-15-25(41)20-38/h3-14,25,41H,15-20H2,1-2H3/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	-48.8	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18989 (Pyrazolopyridinone analogue, 11b | ethyl 6-[4-(2-{...) Show SMILES CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C33H34N4O5/c1-3-42-33(40)30-29-17-19-36(32(39)31(29)37(34-30)25-12-14-27(41-2)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-35-18-16-26(38)21-35/h4-15,26,38H,3,16-21H2,1-2H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	-47.5	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18992 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES CNC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C32H33N5O4/c1-33-31(39)29-28-16-18-36(32(40)30(28)37(34-29)24-11-13-26(41-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-35-17-15-25(38)20-35/h3-14,25,38H,15-20H2,1-2H3,(H,33,39)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	-47.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19018 (6-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-3-...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N(C)C)C(F)(F)F Show InChI InChI=1S/C22H21F3N4O2/c1-27(2)14-4-6-15(7-5-14)28-13-12-18-19(21(28)30)29(26-20(18)22(23,24)25)16-8-10-17(31-3)11-9-16/h4-11H,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18996 (3-amino-6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]me...) Show SMILES COc1ccc(cc1)-n1nc(N)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C30H31N5O3/c1-38-25-12-10-23(11-13-25)35-28-27(29(31)32-35)15-17-34(30(28)37)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-33-16-14-24(36)19-33/h2-13,24,36H,14-19H2,1H3,(H2,31,32)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.70	-46.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18990 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C(O)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C31H30N4O5/c1-40-25-12-10-23(11-13-25)35-29-27(28(32-35)31(38)39)15-17-34(30(29)37)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-33-16-14-24(36)19-33/h2-13,24,36H,14-19H2,1H3,(H,38,39)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60	-45.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18995 (Pyrazolopyridinone analogue, 21 | tert-butyl N-{6-...) Show SMILES COc1ccc(cc1)-n1nc(NC(=O)OC(C)(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C35H39N5O5/c1-35(2,3)45-34(43)36-32-30-18-20-39(33(42)31(30)40(37-32)26-13-15-28(44-4)16-14-26)25-11-9-23(10-12-25)29-8-6-5-7-24(29)21-38-19-17-27(41)22-38/h5-16,27,41H,17-22H2,1-4H3,(H,36,37,43)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.60	-45.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM18994 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C31H29N5O3/c1-39-26-12-10-24(11-13-26)36-30-28(29(18-32)33-36)15-17-35(31(30)38)23-8-6-21(7-9-23)27-5-3-2-4-22(27)19-34-16-14-25(37)20-34/h2-13,25,37H,14-17,19-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM18991 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C31H31N5O4/c1-40-25-12-10-23(11-13-25)36-29-27(28(33-36)30(32)38)15-17-35(31(29)39)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-34-16-14-24(37)19-34/h2-13,24,37H,14-19H2,1H3,(H2,32,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19015 (N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(NC(C)=O)cc1)C(F)(F)F Show InChI InChI=1S/C22H19F3N4O3/c1-13(30)26-14-3-5-15(6-4-14)28-12-11-18-19(21(28)31)29(27-20(18)22(23,24)25)16-7-9-17(32-2)10-8-16/h3-10H,11-12H2,1-2H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM18988 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H32N4O5S/c1-40-26-13-11-24(12-14-26)35-29-28(30(32-35)41(2,38)39)16-18-34(31(29)37)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-33-17-15-25(36)20-33/h3-14,25,36H,15-20H2,1-2H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12743 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19016 (1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(t...) Show SMILES CNc1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F Show InChI InChI=1S/C21H19F3N4O2/c1-25-13-3-5-14(6-4-13)27-12-11-17-18(20(27)29)28(26-19(17)21(22,23)24)15-7-9-16(30-2)10-8-15/h3-10,25H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM18997 (Pyrazolopyridinone analogue, 23 | tert-butyl N-{6-...) Show SMILES COc1ccc(cc1)-n1nc(N(C)C(=O)OC(C)(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C36H41N5O5/c1-36(2,3)46-35(44)38(4)33-31-19-21-40(34(43)32(31)41(37-33)27-14-16-29(45-5)17-15-27)26-12-10-24(11-13-26)30-9-7-6-8-25(30)22-39-20-18-28(42)23-39/h6-17,28,42H,18-23H2,1-5H3/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM19005 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(Cn2cnnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(34-40)20-38-21-33-35-36-38)15-17-39(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM18989 (Pyrazolopyridinone analogue, 11b | ethyl 6-[4-(2-{...) Show SMILES CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C33H34N4O5/c1-3-42-33(40)30-29-17-19-36(32(39)31(29)37(34-30)25-12-14-27(41-2)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-35-18-16-26(38)21-35/h4-15,26,38H,3,16-21H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM19003 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(Cn2nccn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)22-39-34-16-17-35-39)15-19-38(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-18-14-27(41)21-37/h2-13,16-17,27,41H,14-15,18-22H2,1H3/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM19006 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(Cn2ncnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(35-40)20-39-34-21-33-36-39)15-17-38(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19014 (6-(4-aminophenyl)-1-(4-methoxyphenyl)-3-(trifluoro...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(N)cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N4O2/c1-29-15-8-6-14(7-9-15)27-17-16(18(25-27)20(21,22)23)10-11-26(19(17)28)13-4-2-12(24)3-5-13/h2-9H,10-11,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM18999 (3-(dimethylamino)-6-[4-(2-{[(3R)-3-hydroxypyrrolid...) Show SMILES COc1ccc(cc1)-n1nc(N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C32H35N5O3/c1-34(2)31-29-17-19-36(32(39)30(29)37(33-31)25-12-14-27(40-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-35-18-16-26(38)21-35/h4-15,26,38H,16-21H2,1-3H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM19004 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(Cn2cncn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)20-38-22-34-21-35-38)15-17-39(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)18-37-16-14-27(41)19-37/h2-13,21-22,27,41H,14-20H2,1H3/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM19000 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1nnnn1C |r| Show InChI InChI=1S/C32H32N8O3/c1-37-31(33-35-36-37)29-28-16-18-39(32(42)30(28)40(34-29)24-11-13-26(43-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-38-17-15-25(41)20-38/h3-14,25,41H,15-20H2,1-2H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM19022 (1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N(C)C(C)=O Show InChI InChI=1S/C23H23N5O4/c1-14(29)26(2)15-4-6-16(7-5-15)27-13-12-19-20(22(24)30)25-28(21(19)23(27)31)17-8-10-18(32-3)11-9-17/h4-11H,12-13H2,1-3H3,(H2,24,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				J Med Chem 50: 5339-56 (2007) Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9
					More data for this Ligand-Target Pair

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