Compile Data Set for Download or QSAR

Found 1751 hits with Last Name = 'li' and Initial = 'yl'   

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))	BDBM50377655 (CHEMBL260160) Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1F)-n1ccccc1=O Show InChI InChI=1S/C25H17Cl2FN4O4/c1-36-20-11-15(27)10-18(25(35)30-21-8-5-14(26)13-29-21)23(20)31-24(34)17-7-6-16(12-19(17)28)32-9-3-2-4-22(32)33/h2-13H,1H3,(H,31,34)(H,29,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377635 (CHEMBL402980) Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)-n1ccccc1=O Show InChI InChI=1S/C25H18Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h2-14H,1H3,(H,30,33)(H,28,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377637 (CHEMBL257398) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)-n2ccccc2=O)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C25H19ClN4O3/c1-16-5-11-21(20(14-16)25(33)29-22-12-8-18(26)15-27-22)28-24(32)17-6-9-19(10-7-17)30-13-3-2-4-23(30)31/h2-15H,1H3,(H,28,32)(H,27,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377629 (CHEMBL260086) Show SMILES Oc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C24H20Cl2N4O4/c25-15-6-9-20(27-13-15)28-24(34)18-11-16(26)12-19(31)22(18)29-23(33)14-4-7-17(8-5-14)30-10-2-1-3-21(30)32/h4-9,11-13,31H,1-3,10H2,(H,29,33)(H,27,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50328717 (5-Chloro-N-(5-chloro-pyridin-2-yl)-3-methoxy-2-[4-...) Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H22Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h5-10,12-14H,2-4,11H2,1H3,(H,30,33)(H,28,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377638 (CHEMBL257400) Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1 Show InChI InChI=1S/C24H16Cl2N4O3/c25-16-6-10-20(19(13-16)24(33)29-21-11-7-17(26)14-27-21)28-23(32)15-4-8-18(9-5-15)30-12-2-1-3-22(30)31/h1-14H,(H,28,32)(H,27,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377628 (CHEMBL261536) Show SMILES CN(C)CCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C28H29Cl2N5O4/c1-34(2)13-14-39-23-16-20(30)15-22(28(38)32-24-11-8-19(29)17-31-24)26(23)33-27(37)18-6-9-21(10-7-18)35-12-4-3-5-25(35)36/h6-11,15-17H,3-5,12-14H2,1-2H3,(H,33,37)(H,31,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					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 Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12870 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2[nH]c(=O)n(-c3ccc(cc3)-c3ccccc3CN3CC[C@@H](O)C3)c(=O)c12)C(F)(F)F |r| Show InChI InChI=1S/C30H24F3N7O4/c31-30(32,33)26-24-25(40(36-26)19-9-10-23-22(13-19)27(34)37-44-23)28(42)39(29(43)35-24)18-7-5-16(6-8-18)21-4-2-1-3-17(21)14-38-12-11-20(41)15-38/h1-10,13,20,41H,11-12,14-15H2,(H2,34,37)(H,35,43)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	-56.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377640 (CHEMBL258196) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(cc2)-n2ccccc2=O)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C25H20ClN5O5S/c1-37(35,36)30-18-8-11-21(20(14-18)25(34)29-22-12-7-17(26)15-27-22)28-24(33)16-5-9-19(10-6-16)31-13-3-2-4-23(31)32/h2-15,30H,1H3,(H,28,33)(H,27,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377631 (CHEMBL256152) Show SMILES Clc1ccc(NC(=O)c2cc(Br)ccc2NC(=O)c2ccc(cc2)N2CCCCC2=O)nc1 Show InChI InChI=1S/C24H20BrClN4O3/c25-16-6-10-20(19(13-16)24(33)29-21-11-7-17(26)14-27-21)28-23(32)15-4-8-18(9-5-15)30-12-2-1-3-22(30)31/h4-11,13-14H,1-3,12H2,(H,28,32)(H,27,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377636 (CHEMBL257399) Show SMILES COc1cccc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)-n1ccccc1=O Show InChI InChI=1S/C25H19ClN4O4/c1-34-20-6-4-5-19(25(33)28-21-13-10-17(26)15-27-21)23(20)29-24(32)16-8-11-18(12-9-16)30-14-3-2-7-22(30)31/h2-15H,1H3,(H,29,32)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377656 (CHEMBL259534) Show SMILES Clc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1 Show InChI InChI=1S/C24H17ClN4O3/c25-17-10-13-21(26-15-17)28-24(32)19-5-1-2-6-20(19)27-23(31)16-8-11-18(12-9-16)29-14-4-3-7-22(29)30/h1-15H,(H,27,31)(H,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12864 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F Show InChI InChI=1S/C29H24F3N7O2/c1-16-34-24-25(39(35-26(24)29(30,31)32)20-12-13-23-22(14-20)27(33)36-41-23)28(40)38(16)19-10-8-17(9-11-19)21-7-5-4-6-18(21)15-37(2)3/h4-14H,15H2,1-3H3,(H2,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.170	-55.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12866 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Cc1nc2c(nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C31H26F3N7O3/c1-17-36-26-27(41(37-28(26)31(32,33)34)21-10-11-25-24(14-21)29(35)38-44-25)30(43)40(17)20-8-6-18(7-9-20)23-5-3-2-4-19(23)15-39-13-12-22(42)16-39/h2-11,14,22,42H,12-13,15-16H2,1H3,(H2,35,38)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377630 (CHEMBL404448) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)N2CCCCC2=O)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C25H23ClN4O3/c1-16-5-11-21(20(14-16)25(33)29-22-12-8-18(26)15-27-22)28-24(32)17-6-9-19(10-7-17)30-13-3-2-4-23(30)31/h5-12,14-15H,2-4,13H2,1H3,(H,28,32)(H,27,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377643 (CHEMBL257966) Show SMILES Clc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)cc1 Show InChI InChI=1S/C25H18ClN3O3/c26-18-10-12-19(13-11-18)27-25(32)21-5-1-2-6-22(21)28-24(31)17-8-14-20(15-9-17)29-16-4-3-7-23(29)30/h1-16H,(H,27,32)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12868 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2NCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C30H26F3N7O3/c31-30(32,33)27-25-26(40(36-27)20-9-10-24-23(13-20)28(34)37-43-24)29(42)39(16-35-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)14-38-12-11-21(41)15-38/h1-10,13,21,35,41H,11-12,14-16H2,(H2,34,37)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	-54.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12871 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(4-hydrox...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2[nH]c(=O)n(-c3ccc(cc3)-c3ccccc3CN3CCC(O)CC3)c(=O)c12)C(F)(F)F Show InChI InChI=1S/C31H26F3N7O4/c32-31(33,34)27-25-26(41(37-27)20-9-10-24-23(15-20)28(35)38-45-24)29(43)40(30(44)36-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)16-39-13-11-21(42)12-14-39/h1-10,15,21,42H,11-14,16H2,(H2,35,38)(H,36,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	-54.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377627 (CHEMBL260369) Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(nc1)-n1ccccc1=O Show InChI InChI=1S/C24H17Cl2N5O4/c1-35-18-11-16(26)10-17(24(34)29-19-7-6-15(25)13-27-19)22(18)30-23(33)14-5-8-20(28-12-14)31-9-3-2-4-21(31)32/h2-13H,1H3,(H,30,33)(H,27,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12687 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CNc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F Show InChI InChI=1S/C28H24F3N7O2/c1-36(2)14-17-5-3-4-6-20(17)16-7-9-18(10-8-16)37-15-33-23-24(27(37)39)38(34-25(23)28(29,30)31)19-11-12-22-21(13-19)26(32)35-40-22/h3-13,33H,14-15H2,1-2H3,(H2,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	-54.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12860 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O Show InChI InChI=1S/C29H27N7O2/c1-17-26-27(36(32-17)22-13-14-25-24(15-22)28(30)33-38-25)29(37)35(18(2)31-26)21-11-9-19(10-12-21)23-8-6-5-7-20(23)16-34(3)4/h5-15H,16H2,1-4H3,(H2,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	-54.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377632 (CHEMBL404449) Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)N2CCCCC2=O)nc1 Show InChI InChI=1S/C24H20Cl2N4O3/c25-16-6-10-20(19(13-16)24(33)29-21-11-7-17(26)14-27-21)28-23(32)15-4-8-18(9-5-15)30-12-2-1-3-22(30)31/h4-11,13-14H,1-3,12H2,(H,28,32)(H,27,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12862 (1-(3-amino-1,2-benzoxazol-5-yl)-3,5-dimethyl-6-[4-...) Show SMILES CC(C)N(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O Show InChI InChI=1S/C31H31N7O2/c1-18(2)36(5)17-22-8-6-7-9-25(22)21-10-12-23(13-11-21)37-20(4)33-28-19(3)34-38(29(28)31(37)39)24-14-15-27-26(16-24)30(32)35-40-27/h6-16,18H,17H2,1-5H3,(H2,32,35)	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 Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12869 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1nccn1-c1ccc(c(F)c1)-n1c(=O)[nH]c2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F |(5.96,5.32,;5.96,3.78,;7.29,3.01,;4.63,3.01,;4.63,1.47,;5.87,.57,;5.4,-.9,;3.86,-.9,;3.38,.57,;2.05,1.34,;.71,.57,;-.62,1.34,;-.62,2.88,;.71,3.65,;.71,5.19,;2.05,2.88,;-2.11,3.28,;-2.58,4.74,;-1.55,5.89,;-4.09,5.06,;-5.12,3.92,;-6.66,3.92,;-7.14,2.45,;-5.89,1.55,;-5.89,.01,;-7.23,-.76,;-7.23,-2.3,;-5.89,-3.07,;-5.57,-4.58,;-4.04,-4.74,;-3.41,-3.33,;-1.91,-3.01,;-4.56,-2.3,;-4.56,-.76,;-4.65,2.45,;-3.14,2.13,;-2.74,.65,;-7.57,5.16,;-8.34,6.5,;-6.28,6,;-8.86,4.33,)| Show InChI InChI=1S/C25H19F4N9O3/c1-35(2)11-18-31-7-8-36(18)12-3-5-16(15(26)10-12)37-23(39)20-19(32-24(37)40)21(25(27,28)29)33-38(20)13-4-6-17-14(9-13)22(30)34-41-17/h3-10H,11H2,1-2H3,(H2,30,34)(H,32,40)	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 Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12863 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1cnc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O2/c1-36(2)14-17-5-3-4-6-20(17)16-7-9-18(10-8-16)37-15-33-23-24(27(37)39)38(34-25(23)28(29,30)31)19-11-12-22-21(13-19)26(32)35-40-22/h3-13,15H,14H2,1-2H3,(H2,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.350	-53.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12861 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)c2=O |r| Show InChI InChI=1S/C31H29N7O3/c1-18-28-29(38(34-18)23-11-12-27-26(15-23)30(32)35-41-27)31(40)37(19(2)33-28)22-9-7-20(8-10-22)25-6-4-3-5-21(25)16-36-14-13-24(39)17-36/h3-12,15,24,39H,13-14,16-17H2,1-2H3,(H2,32,35)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	-53.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377633 (CHEMBL403075) Show SMILES Clc1ccc(NC(=O)c2cc(ccc2NC(=O)c2ccc(cc2)N2CCCCC2=O)C#N)nc1 Show InChI InChI=1S/C25H20ClN5O3/c26-18-7-11-22(28-15-18)30-25(34)20-13-16(14-27)4-10-21(20)29-24(33)17-5-8-19(9-6-17)31-12-2-1-3-23(31)32/h4-11,13,15H,1-3,12H2,(H,29,33)(H,28,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12865 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(cyclopr...) Show SMILES Cc1nc2c(nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(cc1)-c1ccccc1CNCC1CC1)C(F)(F)F Show InChI InChI=1S/C31H26F3N7O2/c1-17-37-26-27(41(38-28(26)31(32,33)34)22-12-13-25-24(14-22)29(35)39-43-25)30(42)40(17)21-10-8-19(9-11-21)23-5-3-2-4-20(23)16-36-15-18-6-7-18/h2-5,8-14,18,36H,6-7,15-16H2,1H3,(H2,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	-52.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12857 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3S)-3-h...) Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CC[C@H](O)C1)c2=O |r| Show InChI InChI=1S/C30H27N7O3/c1-18-27-28(37(33-18)22-10-11-26-25(14-22)29(31)34-40-26)30(39)36(17-32-27)21-8-6-19(7-9-21)24-5-3-2-4-20(24)15-35-13-12-23(38)16-35/h2-11,14,17,23,38H,12-13,15-16H2,1H3,(H2,31,34)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	-52.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12855 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1cnc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O Show InChI InChI=1S/C28H25N7O2/c1-17-25-26(35(31-17)21-12-13-24-23(14-21)27(29)32-37-24)28(36)34(16-30-25)20-10-8-18(9-11-20)22-7-5-4-6-19(22)15-33(2)3/h4-14,16H,15H2,1-3H3,(H2,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	-52.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377646 (CHEMBL259535) Show SMILES Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1 Show InChI InChI=1S/C25H20N4O3/c1-17-9-14-22(26-16-17)28-25(32)20-6-2-3-7-21(20)27-24(31)18-10-12-19(13-11-18)29-15-5-4-8-23(29)30/h2-16H,1H3,(H,27,31)(H,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377641 (CHEMBL402836) Show SMILES Clc1ccc(NCc2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1 Show InChI InChI=1S/C24H19ClN4O2/c25-19-10-13-22(27-16-19)26-15-18-5-1-2-6-21(18)28-24(31)17-8-11-20(12-9-17)29-14-4-3-7-23(29)30/h1-14,16H,15H2,(H,26,27)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12873 (5-amino-1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2nc(N)c(-c3ccc(cc3)-c3ccccc3CN3CCC(O)CC3)c(O)c12)C(F)(F)F Show InChI InChI=1S/C32H28F3N7O3/c33-32(34,35)29-26-27(42(39-29)20-9-10-24-23(15-20)30(36)40-45-24)28(44)25(31(37)38-26)18-7-5-17(6-8-18)22-4-2-1-3-19(22)16-41-13-11-21(43)12-14-41/h1-10,15,21,43H,11-14,16H2,(H2,36,40)(H3,37,38,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.770	-51.5	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor sites in cortical membranes using [3H]-8-OH-DPAT as radioligand				J Med Chem 33: 1541-4 (1990) BindingDB Entry DOI: 10.7270/Q2QJ7G8P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377647 (CHEMBL411044) Show SMILES Fc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1 Show InChI InChI=1S/C24H17FN4O3/c25-17-10-13-21(26-15-17)28-24(32)19-5-1-2-6-20(19)27-23(31)16-8-11-18(12-9-16)29-14-4-3-7-22(29)30/h1-15H,(H,27,31)(H,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377652 (CHEMBL256573) Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccc(cc2)-n2ccccc2=O)nc1 Show InChI InChI=1S/C24H19ClN4O2/c25-18-10-13-22(27-16-18)28-24(31)20-5-1-2-6-21(20)26-15-17-8-11-19(12-9-17)29-14-4-3-7-23(29)30/h1-14,16,26H,15H2,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377650 (CHEMBL260354) Show SMILES Clc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)N2CCCCC2=O)nc1 Show InChI InChI=1S/C24H21ClN4O3/c25-17-10-13-21(26-15-17)28-24(32)19-5-1-2-6-20(19)27-23(31)16-8-11-18(12-9-16)29-14-4-3-7-22(29)30/h1-2,5-6,8-13,15H,3-4,7,14H2,(H,27,31)(H,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12856 (1-(3-amino-1,2-benzoxazol-5-yl)-3-methyl-6-{4-[2-(...) Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O Show InChI InChI=1S/C30H27N7O2/c1-19-27-28(37(33-19)23-12-13-26-25(16-23)29(31)34-39-26)30(38)36(18-32-27)22-10-8-20(9-11-22)24-7-3-2-6-21(24)17-35-14-4-5-15-35/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H2,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	-50.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377644 (CHEMBL1162978) Show SMILES Clc1cnc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1 Show InChI InChI=1S/C23H16ClN5O3/c24-16-13-25-23(26-14-16)28-22(32)18-5-1-2-6-19(18)27-21(31)15-8-10-17(11-9-15)29-12-4-3-7-20(29)30/h1-14H,(H,27,31)(H,25,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12859 (1-(3-amino-1,2-benzoxazol-5-yl)-3-methyl-6-(4-{2-[...) Show SMILES CC(C)NCc1ccccc1-c1ccc(cc1)-n1cnc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O Show InChI InChI=1S/C29H27N7O2/c1-17(2)31-15-20-6-4-5-7-23(20)19-8-10-21(11-9-19)35-16-32-26-18(3)33-36(27(26)29(35)37)22-12-13-25-24(14-22)28(30)34-38-25/h4-14,16-17,31H,15H2,1-3H3,(H2,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	-49.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12854 (Pyrazolo[4,3-d]pyrimidinone 12 | ethyl 1-(3-amino-...) Show SMILES CCOC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O Show InChI InChI=1S/C32H29N7O4/c1-2-42-32(41)28-27-29(39(35-28)23-13-14-26-25(17-23)30(33)36-43-26)31(40)38(19-34-27)22-11-9-20(10-12-22)24-8-4-3-7-21(24)18-37-15-5-6-16-37/h3-4,7-14,17,19H,2,5-6,15-16,18H2,1H3,(H2,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	-49.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12858 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(cyclopr...) Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CNCC1CC1)c2=O Show InChI InChI=1S/C30H27N7O2/c1-18-27-28(37(34-18)23-12-13-26-25(14-23)29(31)35-39-26)30(38)36(17-33-27)22-10-8-20(9-11-22)24-5-3-2-4-21(24)16-32-15-19-6-7-19/h2-5,8-14,17,19,32H,6-7,15-16H2,1H3,(H2,31,35)	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 Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377634 (CHEMBL428432) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(cc2)N2CCCCC2=O)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C25H24ClN5O5S/c1-37(35,36)30-18-8-11-21(20(14-18)25(34)29-22-12-7-17(26)15-27-22)28-24(33)16-5-9-19(10-6-16)31-13-3-2-4-23(31)32/h5-12,14-15,30H,2-4,13H2,1H3,(H,28,33)(H,27,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377639 (CHEMBL258188) Show SMILES Clc1ccc(NC(=O)c2cc(ccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)C#N)nc1 Show InChI InChI=1S/C25H16ClN5O3/c26-18-7-11-22(28-15-18)30-25(34)20-13-16(14-27)4-10-21(20)29-24(33)17-5-8-19(9-6-17)31-12-2-1-3-23(31)32/h1-13,15H,(H,29,33)(H,28,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377649 (CHEMBL260912) Show SMILES O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccc(cc1)-n1ccccc1=O Show InChI InChI=1S/C24H18N4O3/c29-22-10-4-6-16-28(22)18-13-11-17(12-14-18)23(30)26-20-8-2-1-7-19(20)24(31)27-21-9-3-5-15-25-21/h1-16H,(H,26,30)(H,25,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12872 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-c1cnc2c(nn(-c3ccc4onc(N)c4c3)c2c1O)C(F)(F)F Show InChI InChI=1S/C29H23F3N6O2/c1-37(2)15-18-5-3-4-6-20(18)16-7-9-17(10-8-16)22-14-34-24-25(26(22)39)38(35-27(24)29(30,31)32)19-11-12-23-21(13-19)28(33)36-40-23/h3-14H,15H2,1-2H3,(H2,33,36)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377642 (CHEMBL257967) Show SMILES Clc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)c1 Show InChI InChI=1S/C25H18ClN3O3/c26-18-6-5-7-19(16-18)27-25(32)21-8-1-2-9-22(21)28-24(31)17-11-13-20(14-12-17)29-15-4-3-10-23(29)30/h1-16H,(H,27,32)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50377653 (CHEMBL402761) Show SMILES Clc1ccc(NS(=O)(=O)c2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1 Show InChI InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2845-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12874 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-c1nnc2c(nn(-c3ccc4onc(N)c4c3)c2c1O)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O2/c1-37(2)14-17-5-3-4-6-19(17)15-7-9-16(10-8-15)22-25(39)24-23(34-33-22)26(28(29,30)31)35-38(24)18-11-12-21-20(13-18)27(32)36-40-21/h3-13H,14H2,1-2H3,(H2,32,36)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	-46.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair

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