Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 2295   

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))	BDBM19042 (6-(1-{2-[(diethylamino)methyl]phenyl}piperidin-4-y...) Show SMILES CCN(CC)Cc1ccccc1N1CCC(CC1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C30H38N6O3/c1-4-33(5-2)20-21-8-6-7-9-26(21)34-17-14-22(15-18-34)35-19-16-25-27(29(31)37)32-36(28(25)30(35)38)23-10-12-24(39-3)13-11-23/h6-13,22H,4-5,14-20H2,1-3H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	-54.2	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19038 (1-(4-methoxyphenyl)-7-oxo-6-{1-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCCC3)C(=O)c12 Show InChI InChI=1S/C30H36N6O3/c1-39-24-10-8-23(9-11-24)36-28-25(27(32-36)29(31)37)14-19-35(30(28)38)22-12-17-34(18-13-22)26-7-3-2-6-21(26)20-33-15-4-5-16-33/h2-3,6-11,22H,4-5,12-20H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	-54.2	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12657 (1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)	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	0.300	-53.8	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19036 (6-[1-(2-methanesulfonylphenyl)piperidin-4-yl]-1-(4...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3S(C)(=O)=O)C(=O)c12 Show InChI InChI=1S/C26H29N5O5S/c1-36-19-9-7-18(8-10-19)31-24-20(23(28-31)25(27)32)13-16-30(26(24)33)17-11-14-29(15-12-17)21-5-3-4-6-22(21)37(2,34)35/h3-10,17H,11-16H2,1-2H3,(H2,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.350	-53.4	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19037 (6-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN(C)C)C(=O)c12 Show InChI InChI=1S/C28H34N6O3/c1-31(2)18-19-6-4-5-7-24(19)32-15-12-20(13-16-32)33-17-14-23-25(27(29)35)30-34(26(23)28(33)36)21-8-10-22(37-3)11-9-21/h4-11,20H,12-18H2,1-3H3,(H2,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.410	-53.0	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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19039 (1-(4-methoxyphenyl)-6-{1-[2-(morpholin-4-ylmethyl)...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCOCC3)C(=O)c12 Show InChI InChI=1S/C30H36N6O4/c1-39-24-8-6-23(7-9-24)36-28-25(27(32-36)29(31)37)12-15-35(30(28)38)22-10-13-34(14-11-22)26-5-3-2-4-21(26)20-33-16-18-40-19-17-33/h2-9,22H,10-20H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.570	-52.2	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19032 (1-(3-amino-1,2-benzoxazol-5-yl)-N-{1-[2-(pyrrolidi...) Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCCC1)C(F)(F)F Show InChI InChI=1S/C28H30F3N7O2/c29-28(30,31)25-16-23(38(34-25)20-7-8-24-21(15-20)26(32)35-40-24)27(39)33-19-9-13-37(14-10-19)22-6-2-1-5-18(22)17-36-11-3-4-12-36/h1-2,5-8,15-16,19H,3-4,9-14,17H2,(H2,32,35)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.610	-52.1	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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19034 (1-(3-amino-1,2-benzoxazol-5-yl)-N-(1-{2-[(methylam...) Show SMILES CNCc1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F Show InChI InChI=1S/C25H26F3N7O2/c1-30-14-15-4-2-3-5-19(15)34-10-8-16(9-11-34)31-24(36)20-13-22(25(26,27)28)32-35(20)17-6-7-21-18(12-17)23(29)33-37-21/h2-7,12-13,16,30H,8-11,14H2,1H3,(H2,29,33)(H,31,36)	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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19035 (1-(3-amino-1,2-benzoxazol-5-yl)-N-[1-(2-{[ethyl(me...) Show SMILES CCN(C)Cc1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F Show InChI InChI=1S/C27H30F3N7O2/c1-3-35(2)16-17-6-4-5-7-21(17)36-12-10-18(11-13-36)32-26(38)22-15-24(27(28,29)30)33-37(22)19-8-9-23-20(14-19)25(31)34-39-23/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H2,31,34)(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	-51.7	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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19033 (1-(3-amino-1,2-benzoxazol-5-yl)-N-[1-(2-{[(2R)-2-h...) Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCC[C@H]1O)C(F)(F)F |r| Show InChI InChI=1S/C28H30F3N7O3/c29-28(30,31)24-15-22(38(34-24)19-7-8-23-20(14-19)26(32)35-41-23)27(40)33-18-9-12-36(13-10-18)21-5-2-1-4-17(21)16-37-11-3-6-25(37)39/h1-2,4-5,7-8,14-15,18,25,39H,3,6,9-13,16H2,(H2,32,35)(H,33,40)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.730	-51.6	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19040 (6-[1-(2-{[(2S)-2-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCC[C@@H]3O)C(=O)c12 |r| Show InChI InChI=1S/C30H36N6O4/c1-40-23-10-8-22(9-11-23)36-28-24(27(32-36)29(31)38)14-18-35(30(28)39)21-12-16-33(17-13-21)25-6-3-2-5-20(25)19-34-15-4-7-26(34)37/h2-3,5-6,8-11,21,26,37H,4,7,12-19H2,1H3,(H2,31,38)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.870	-51.2	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19041 (1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]p...) Show SMILES CNCc1ccccc1N1CCC(CC1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C27H32N6O3/c1-29-17-18-5-3-4-6-23(18)31-14-11-19(12-15-31)32-16-13-22-24(26(28)34)30-33(25(22)27(32)35)20-7-9-21(36-2)10-8-20/h3-10,19,29H,11-17H2,1-2H3,(H2,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19029 (1-(3-amino-1,2-benzoxazol-5-yl)-N-[1-(2-methanesul...) Show SMILES CS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F Show InChI InChI=1S/C24H23F3N6O4S/c1-38(35,36)20-5-3-2-4-17(20)32-10-8-14(9-11-32)29-23(34)18-13-21(24(25,26)27)30-33(18)15-6-7-19-16(12-15)22(28)31-37-19/h2-7,12-14H,8-11H2,1H3,(H2,28,31)(H,29,34)	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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19028 (1-[2-(aminomethyl)phenyl]-N-[1-(2-methanesulfonylp...) Show SMILES CS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccccc1CN)C(F)(F)F Show InChI InChI=1S/C24H26F3N5O3S/c1-36(34,35)21-9-5-4-8-19(21)31-12-10-17(11-13-31)29-23(33)20-14-22(24(25,26)27)30-32(20)18-7-3-2-6-16(18)15-28/h2-9,14,17H,10-13,15,28H2,1H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40	-48.7	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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19024 (1-[3-(aminomethyl)phenyl]-N-[4-(2-methanesulfonylp...) Show SMILES CS(=O)(=O)c1ccccc1C1=CCC(CC1)NC(=O)c1cc(nn1-c1cccc(CN)c1)C(F)(F)F |t:11| Show InChI InChI=1S/C25H25F3N4O3S/c1-36(34,35)22-8-3-2-7-20(22)17-9-11-18(12-10-17)30-24(33)21-14-23(25(26,27)28)31-32(21)19-6-4-5-16(13-19)15-29/h2-9,13-14,18H,10-12,15,29H2,1H3,(H,30,33)	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19045 (1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3S(N)(=O)=O)C(=O)c12 Show InChI InChI=1S/C25H28N6O5S/c1-36-18-8-6-17(7-9-18)31-23-19(22(28-31)24(26)32)12-15-30(25(23)33)16-10-13-29(14-11-16)20-4-2-3-5-21(20)37(27,34)35/h2-9,16H,10-15H2,1H3,(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 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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19027 (1-[3-(aminomethyl)phenyl]-N-[1-(2-methanesulfonylp...) Show SMILES CS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1cccc(CN)c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N5O3S/c1-36(34,35)21-8-3-2-7-19(21)31-11-9-17(10-12-31)29-23(33)20-14-22(24(25,26)27)30-32(20)18-6-4-5-16(13-18)15-28/h2-8,13-14,17H,9-12,15,28H2,1H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	-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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19025 (1-[3-(aminomethyl)phenyl]-N-[4-(2-methanesulfonylp...) Show SMILES CS(=O)(=O)c1ccccc1[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn1-c1cccc(CN)c1)C(F)(F)F |r,wU:13.17,wD:10.10,(6.57,7.3,;6.57,5.76,;5.03,5.76,;8.11,5.76,;6.57,4.22,;7.9,3.45,;7.9,1.91,;6.57,1.14,;5.24,1.91,;5.24,3.45,;3.9,4.22,;3.9,5.76,;2.57,6.53,;1.24,5.76,;1.24,4.22,;2.57,3.45,;-.23,6.23,;-1.37,5.2,;-1.05,3.69,;-2.84,5.68,;-3.31,7.14,;-4.85,7.14,;-5.33,5.68,;-4.08,4.77,;-4.08,3.23,;-2.75,2.46,;-2.75,.92,;-4.08,.15,;-5.42,.92,;-6.75,.15,;-8.08,.92,;-5.42,2.46,;-5.76,8.39,;-6.53,9.72,;-4.47,9.23,;-7.05,7.55,)| Show InChI InChI=1S/C25H27F3N4O3S/c1-36(34,35)22-8-3-2-7-20(22)17-9-11-18(12-10-17)30-24(33)21-14-23(25(26,27)28)31-32(21)19-6-4-5-16(13-19)15-29/h2-8,13-14,17-18H,9-12,15,29H2,1H3,(H,30,33)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70	-46.6	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19048 (1-(4-methoxyphenyl)-N-{1-[2-(morpholin-4-ylmethyl)...) Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCOCC1)C(F)(F)F Show InChI InChI=1S/C28H32F3N5O3/c1-38-23-8-6-22(7-9-23)36-25(18-26(33-36)28(29,30)31)27(37)32-21-10-12-35(13-11-21)24-5-3-2-4-20(24)19-34-14-16-39-17-15-34/h2-9,18,21H,10-17,19H2,1H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.60	-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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19046 (N-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-...) Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN(C)C)C(F)(F)F Show InChI InChI=1S/C26H30F3N5O2/c1-32(2)17-18-6-4-5-7-22(18)33-14-12-19(13-15-33)30-25(35)23-16-24(26(27,28)29)31-34(23)20-8-10-21(36-3)11-9-20/h4-11,16,19H,12-15,17H2,1-3H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.80	-45.5	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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19031 (DPC 423 derivative, 11a | N-[1-(2-methanesulfonylp...) Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H25F3N4O4S/c1-35-18-9-7-17(8-10-18)31-20(15-22(29-31)24(25,26)27)23(32)28-16-11-13-30(14-12-16)19-5-3-4-6-21(19)36(2,33)34/h3-10,15-16H,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 Similars	Article PubMed	14	-44.4	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19043 (1-(4-methoxyphenyl)-6-(1-{2-[(N-methylacetamido)me...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN(C)C(C)=O)C(=O)c12 Show InChI InChI=1S/C29H34N6O4/c1-19(36)32(2)18-20-6-4-5-7-25(20)33-15-12-21(13-16-33)34-17-14-24-26(28(30)37)31-35(27(24)29(34)38)22-8-10-23(39-3)11-9-22/h4-11,21H,12-18H2,1-3H3,(H2,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	23	-43.2	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19047 (1-(4-methoxyphenyl)-N-{1-[2-(pyrrolidin-1-ylmethyl...) Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCCC1)C(F)(F)F Show InChI InChI=1S/C28H32F3N5O2/c1-38-23-10-8-22(9-11-23)36-25(18-26(33-36)28(29,30)31)27(37)32-21-12-16-35(17-13-21)24-7-3-2-6-20(24)19-34-14-4-5-15-34/h2-3,6-11,18,21H,4-5,12-17,19H2,1H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	-42.6	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19044 (6-[1-(2-{[methane(methyl)sulfonamido]methyl}phenyl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN(C)S(C)(=O)=O)C(=O)c12 Show InChI InChI=1S/C28H34N6O5S/c1-31(40(3,37)38)18-19-6-4-5-7-24(19)32-15-12-20(13-16-32)33-17-14-23-25(27(29)35)30-34(26(23)28(33)36)21-8-10-22(39-2)11-9-21/h4-11,20H,12-18H2,1-3H3,(H2,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	81	-40.1	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...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19030 (1-(3-amino-1,2-benzoxazol-5-yl)-N-[1-(2-methanesul...) Show SMILES CS(=O)(=O)c1ccccc1N1CCC(CC1=O)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F Show InChI InChI=1S/C24H21F3N6O5S/c1-39(36,37)19-5-3-2-4-16(19)32-9-8-13(10-21(32)34)29-23(35)17-12-20(24(25,26)27)30-33(17)14-6-7-18-15(11-14)22(28)31-38-18/h2-7,11-13H,8-10H2,1H3,(H2,28,31)(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	92	-39.8	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19026 (1-[3-(aminomethyl)phenyl]-N-[4-(2-methanesulfonylp...) Show SMILES CS(=O)(=O)c1ccccc1[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(nn1-c1cccc(CN)c1)C(F)(F)F |r,wU:13.17,10.10,(6.57,7.3,;6.57,5.76,;5.03,5.76,;8.11,5.76,;6.57,4.22,;7.9,3.45,;7.9,1.91,;6.57,1.14,;5.24,1.91,;5.24,3.45,;3.9,4.22,;3.9,5.76,;2.57,6.53,;1.24,5.76,;1.24,4.22,;2.57,3.45,;-.23,6.23,;-1.37,5.2,;-1.05,3.69,;-2.84,5.68,;-3.31,7.14,;-4.85,7.14,;-5.33,5.68,;-4.08,4.77,;-4.08,3.23,;-2.75,2.46,;-2.75,.92,;-4.08,.15,;-5.42,.92,;-6.75,.15,;-8.08,.92,;-5.42,2.46,;-5.76,8.39,;-6.53,9.72,;-4.47,9.23,;-7.05,7.55,)| Show InChI InChI=1S/C25H27F3N4O3S/c1-36(34,35)22-8-3-2-7-20(22)17-9-11-18(12-10-17)30-24(33)21-14-23(25(26,27)28)31-32(21)19-6-4-5-16(13-19)15-29/h2-8,13-14,17-18H,9-12,15,29H2,1H3,(H,30,33)/t17-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	-32.2	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 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair