Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 1621   

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))	BDBM12676 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.190	-54.9	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12720 (6-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H27FN6O3/c1-40-22-11-9-21(10-12-22)37-28-26(27(34-37)29(32)38)33-18-36(30(28)39)25-13-8-19(16-24(25)31)23-7-3-2-6-20(23)17-35-14-4-5-15-35/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H2,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.740	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12711 (6-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-(4-meth...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3S(N)(=O)=O)c(=O)c12 Show InChI InChI=1S/C25H19FN6O5S/c1-37-16-9-7-15(8-10-16)32-23-21(22(30-32)24(27)33)29-13-31(25(23)34)19-11-6-14(12-18(19)26)17-4-2-3-5-20(17)38(28,35)36/h2-13H,1H3,(H2,27,33)(H2,28,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	-50.4	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12726 (1-(4-methoxyphenyl)-5-methyl-6-{4-[2-(pyrrolidin-1...) Show SMILES COc1ccc(cc1)-n1nc(Cn2cnnn2)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C32H31N9O2/c1-22-34-30-29(20-39-21-33-36-37-39)35-41(26-13-15-27(43-2)16-14-26)31(30)32(42)40(22)25-11-9-23(10-12-25)28-8-4-3-7-24(28)19-38-17-5-6-18-38/h3-4,7-16,21H,5-6,17-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12721 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CC[C@@H](O)C3)c(=O)c12 |r| Show InChI InChI=1S/C30H28N6O4/c1-40-24-12-10-22(11-13-24)36-28-26(27(33-36)29(31)38)32-18-35(30(28)39)21-8-6-19(7-9-21)25-5-3-2-4-20(25)16-34-15-14-23(37)17-34/h2-13,18,23,37H,14-17H2,1H3,(H2,31,38)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12710 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-sulfamoylphenyl)...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12 Show InChI InChI=1S/C25H20N6O5S/c1-36-18-12-10-17(11-13-18)31-23-21(22(29-31)24(26)32)28-14-30(25(23)33)16-8-6-15(7-9-16)19-4-2-3-5-20(19)37(27,34)35/h2-14H,1H3,(H2,26,32)(H2,27,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12722 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H26N6O2/c1-38-25-14-12-24(13-15-25)36-29-28(27(18-31)33-36)32-20-35(30(29)37)23-10-8-21(9-11-23)26-7-3-2-6-22(26)19-34-16-4-5-17-34/h2-3,6-15,20H,4-5,16-17,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12724 (6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN(C)C)c(=O)c12 Show InChI InChI=1S/C29H26N6O2/c1-19-31-27-26(17-30)32-35(23-13-15-24(37-4)16-14-23)28(27)29(36)34(19)22-11-9-20(10-12-22)25-8-6-5-7-21(25)18-33(2)3/h5-16H,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12709 (methyl 6-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-...) Show SMILES COC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c2=O Show InChI InChI=1S/C26H20FN5O6S/c1-37-17-10-8-16(9-11-17)32-24-22(23(30-32)26(34)38-2)29-14-31(25(24)33)20-12-7-15(13-19(20)27)18-5-3-4-6-21(18)39(28,35)36/h3-14H,1-2H3,(H2,28,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	-49.4	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12727 (1-(4-methoxyphenyl)-5-methyl-6-{4-[2-(pyrrolidin-1...) Show SMILES COc1ccc(cc1)-n1nc(Cn2ncnn2)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C32H31N9O2/c1-22-35-30-29(20-39-34-21-33-37-39)36-41(26-13-15-27(43-2)16-14-26)31(30)32(42)40(22)25-11-9-23(10-12-25)28-8-4-3-7-24(28)19-38-17-5-6-18-38/h3-4,7-16,21H,5-6,17-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12712 (2-{4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-1H,6H,7H-p...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12 Show InChI InChI=1S/C25H18N6O4S/c1-35-19-12-10-18(11-13-19)31-24-23(21(14-26)29-31)28-15-30(25(24)32)17-8-6-16(7-9-17)20-4-2-3-5-22(20)36(27,33)34/h2-13,15H,1H3,(H2,27,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	-49.3	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12725 (3-(1H-imidazol-1-ylmethyl)-1-(4-methoxyphenyl)-5-m...) Show SMILES COc1ccc(cc1)-n1nc(Cn2ccnc2)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C34H33N7O2/c1-24-36-32-31(22-39-20-17-35-23-39)37-41(28-13-15-29(43-2)16-14-28)33(32)34(42)40(24)27-11-9-25(10-12-27)30-8-4-3-7-26(30)21-38-18-5-6-19-38/h3-4,7-17,20,23H,5-6,18-19,21-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12723 (6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN(C)C)c(=O)c12 Show InChI InChI=1S/C28H24N6O2/c1-32(2)17-20-6-4-5-7-24(20)19-8-10-21(11-9-19)33-18-30-26-25(16-29)31-34(27(26)28(33)35)22-12-14-23(36-3)15-13-22/h4-15,18H,17H2,1-3H3	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12708 (methyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-sulfamoyl...) Show SMILES COC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1)-c1ccccc1S(N)(=O)=O)c2=O Show InChI InChI=1S/C26H21N5O6S/c1-36-19-13-11-18(12-14-19)31-24-22(23(29-31)26(33)37-2)28-15-30(25(24)32)17-9-7-16(8-10-17)20-5-3-4-6-21(20)38(27,34)35/h3-15H,1-2H3,(H2,27,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	-48.3	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12728 (1-(4-methoxyphenyl)-4-methyl-6-{4-[2-(pyrrolidin-1...) Show SMILES COc1ccc(cc1)-n1nc(c2c(C)nn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12)C(F)(F)F Show InChI InChI=1S/C31H28F3N5O2/c1-20-27-28(38(36-29(27)31(32,33)34)23-13-15-25(41-2)16-14-23)30(40)39(35-20)24-11-9-21(10-12-24)26-8-4-3-7-22(26)19-37-17-5-6-18-37/h3-4,7-16H,5-6,17-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12715 (2-{4-[1-(4-methoxyphenyl)-4-methyl-7-oxo-3-(triflu...) Show SMILES COc1ccc(cc1)-n1nc(c2c(C)nn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12)C(F)(F)F Show InChI InChI=1S/C26H20F3N5O4S/c1-15-22-23(33(32-24(22)26(27,28)29)17-11-13-19(38-2)14-12-17)25(35)34(31-15)18-9-7-16(8-10-18)20-5-3-4-6-21(20)39(30,36)37/h3-14H,1-2H3,(H2,30,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	-48.3	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12707 (6-[2-fluoro-4-(2-methanesulfonylphenyl)phenyl]-1-(...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2[nH]c(=O)n(-c3ccc(cc3F)-c3ccccc3S(C)(=O)=O)c(=O)c12 |(-7.99,-3.36,;-8.79,-2.04,;-8.05,-.69,;-8.85,.62,;-8.11,1.97,;-6.58,2.01,;-5.77,.7,;-6.51,-.66,;-5.67,3.26,;-6.15,4.72,;-4.9,5.63,;-4.9,7.17,;-4.9,8.71,;-3.65,4.72,;-2.15,5.04,;-1.12,3.9,;.39,4.22,;-1.59,2.43,;-.56,1.29,;-.89,-.22,;.24,-1.25,;1.71,-.79,;2.04,.71,;.91,1.75,;1.24,3.26,;2.85,-1.83,;2.48,-3.32,;3.6,-4.39,;5.07,-3.96,;5.44,-2.46,;4.33,-1.4,;4.69,.1,;5.09,1.59,;3.2,.5,;6.18,-.3,;-3.1,2.11,;-3.58,.65,;-4.13,3.26,)| Show InChI InChI=1S/C26H18FN5O5S/c1-37-17-10-8-16(9-11-17)32-24-23(20(14-28)30-32)29-26(34)31(25(24)33)21-12-7-15(13-19(21)27)18-5-3-4-6-22(18)38(2,35)36/h3-13H,1-2H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.2	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12705 (CHEMBL146793 | N-[2-fluoro-4-(2-methanesulfonylphe...) Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C25H19F4N3O4S/c1-36-17-10-8-16(9-11-17)32-21(14-23(31-32)25(27,28)29)24(33)30-20-12-7-15(13-19(20)26)18-5-3-4-6-22(18)37(2,34)35/h3-14H,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	-47.8	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12717 (ethyl 6-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phen...) Show SMILES CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1F)-c1ccccc1CN1CCCC1)c2=O Show InChI InChI=1S/C32H30FN5O4/c1-3-42-32(40)29-28-30(38(35-29)23-11-13-24(41-2)14-12-23)31(39)37(20-34-28)27-15-10-21(18-26(27)33)25-9-5-4-8-22(25)19-36-16-6-7-17-36/h4-5,8-15,18,20H,3,6-7,16-17,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12716 (ethyl 1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidi...) Show SMILES CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O Show InChI InChI=1S/C32H31N5O4/c1-3-41-32(39)29-28-30(37(34-29)25-14-16-26(40-2)17-15-25)31(38)36(21-33-28)24-12-10-22(11-13-24)27-9-5-4-8-23(27)20-35-18-6-7-19-35/h4-5,8-17,21H,3,6-7,18-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12706 (4-amino-3-cyano-N-[2-fluoro-4-(2-methanesulfonylph...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c(N)c1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C25H20FN5O4S/c1-35-17-10-8-16(9-11-17)31-24(23(28)21(14-27)30-31)25(32)29-20-12-7-15(13-19(20)26)18-5-3-4-6-22(18)36(2,33)34/h3-13H,28H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.40	-45.6	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12714 (2-{4-[3-(aminomethyl)-1-(4-methoxyphenyl)-7-oxo-1H...) Show SMILES COc1ccc(cc1)-n1nc(CN)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12 Show InChI InChI=1S/C25H22N6O4S/c1-35-19-12-10-18(11-13-19)31-24-23(21(14-26)29-31)28-15-30(25(24)32)17-8-6-16(7-9-17)20-4-2-3-5-22(20)36(27,33)34/h2-13,15H,14,26H2,1H3,(H2,27,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	22	-43.3	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12713 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-sulfamoylphenyl)...) Show SMILES COc1ccc(cc1)-n1nc(C(O)=O)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12 Show InChI InChI=1S/C25H19N5O6S/c1-36-18-12-10-17(11-13-18)30-23-21(22(28-30)25(32)33)27-14-29(24(23)31)16-8-6-15(7-9-16)19-4-2-3-5-20(19)37(26,34)35/h2-14H,1H3,(H,32,33)(H2,26,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	38	-41.9	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12718 (ethyl 6-{4-[2-(hydroxymethyl)phenyl]phenyl}-1-(4-m...) Show SMILES CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CO)c2=O Show InChI InChI=1S/C28H24N4O5/c1-3-37-28(35)25-24-26(32(30-25)21-12-14-22(36-2)15-13-21)27(34)31(17-29-24)20-10-8-18(9-11-20)23-7-5-4-6-19(23)16-33/h4-15,17,33H,3,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12676 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	540	-35.4	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12722 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H26N6O2/c1-38-25-14-12-24(13-15-25)36-29-28(27(18-31)33-36)32-20-35(30(29)37)23-10-8-21(9-11-23)26-7-3-2-6-22(26)19-34-16-4-5-17-34/h2-3,6-15,20H,4-5,16-17,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12720 (6-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H27FN6O3/c1-40-22-11-9-21(10-12-22)37-28-26(27(34-37)29(32)38)33-18-36(30(28)39)25-13-8-19(16-24(25)31)23-7-3-2-6-20(23)17-35-14-4-5-15-35/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H2,32,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM12720 (6-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H27FN6O3/c1-40-22-11-9-21(10-12-22)37-28-26(27(34-37)29(32)38)33-18-36(30(28)39)25-13-8-19(16-24(25)31)23-7-3-2-6-20(23)17-35-14-4-5-15-35/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H2,32,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM12722 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H26N6O2/c1-38-25-14-12-24(13-15-25)36-29-28(27(18-31)33-36)32-20-35(30(29)37)23-10-8-21(9-11-23)26-7-3-2-6-22(26)19-34-16-4-5-17-34/h2-3,6-15,20H,4-5,16-17,19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>4.20E+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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM12676 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	>-28.3	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12676 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.50E+4	>-27.3	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM12720 (6-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H27FN6O3/c1-40-22-11-9-21(10-12-22)37-28-26(27(34-37)29(32)38)33-18-36(30(28)39)25-13-8-19(16-24(25)31)23-7-3-2-6-20(23)17-35-14-4-5-15-35/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H2,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+4	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM12676 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.50E+4	>-27.3	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12722 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H26N6O2/c1-38-25-14-12-24(13-15-25)36-29-28(27(18-31)33-36)32-20-35(30(29)37)23-10-8-21(9-11-23)26-7-3-2-6-22(26)19-34-16-4-5-17-34/h2-3,6-15,20H,4-5,16-17,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM12722 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H26N6O2/c1-38-25-14-12-24(13-15-25)36-29-28(27(18-31)33-36)32-20-35(30(29)37)23-10-8-21(9-11-23)26-7-3-2-6-22(26)19-34-16-4-5-17-34/h2-3,6-15,20H,4-5,16-17,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+4	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12720 (6-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H27FN6O3/c1-40-22-11-9-21(10-12-22)37-28-26(27(34-37)29(32)38)33-18-36(30(28)39)25-13-8-19(16-24(25)31)23-7-3-2-6-20(23)17-35-14-4-5-15-35/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H2,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+4	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>4.10E+4	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...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair