Compile Data Set for Download or QSAR

Found 9130 hits with Last Name = 'heer' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM17135 (3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...) Show SMILES CNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl Show InChI InChI=1S/C23H19Cl3N6O3S/c1-27-23-28-5-6-32(23)10-12-11-36-20(18(12)26)22(34)31-19-15(7-14(25)8-16(19)35-2)21(33)30-17-4-3-13(24)9-29-17/h3-9,11H,10H2,1-2H3,(H,27,28)(H,31,34)(H,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12751 (1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374877 (CHEMBL270221) Show SMILES CN(C)CCN(C)C(=O)CN(C1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 |w:11.10| Show InChI InChI=1S/C30H32ClFN6O5S2/c1-34(2)15-16-35(3)27(40)19-38(45(42,43)28-17-20-9-12-25(31)33-29(20)44-28)24-7-6-14-37(30(24)41)23-11-10-21(18-22(23)32)36-13-5-4-8-26(36)39/h4-5,8-13,17-18,24H,6-7,14-16,19H2,1-3H3	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 Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12751 (1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0130	-61.5	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374879 (CHEMBL401958) Show SMILES CN(C)CCN(C)C(=O)CN([C@H]1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 Show InChI InChI=1S/C33H35ClFN5O5S/c1-36(2)17-18-37(3)32(42)22-40(46(44,45)27-13-10-23-19-25(34)11-9-24(23)20-27)30-7-6-16-39(33(30)43)29-14-12-26(21-28(29)35)38-15-5-4-8-31(38)41/h4-5,8-15,19-21,30H,6-7,16-18,22H2,1-3H3/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374879 (CHEMBL401958) Show SMILES CN(C)CCN(C)C(=O)CN([C@H]1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 Show InChI InChI=1S/C33H35ClFN5O5S/c1-36(2)17-18-37(3)32(42)22-40(46(44,45)27-13-10-23-19-25(34)11-9-24(23)20-27)30-7-6-16-39(33(30)43)29-14-12-26(21-28(29)35)38-15-5-4-8-31(38)41/h4-5,8-15,19-21,30H,6-7,16-18,22H2,1-3H3/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374878 (CHEMBL270862) Show SMILES Fc1cc(ccc1N1CCCC(NS(=O)(=O)c2cc3ccc(Cl)nc3s2)C1=O)-n1ccccc1=O |w:11.12| Show InChI InChI=1S/C23H18ClFN4O4S2/c24-19-9-6-14-12-21(34-22(14)26-19)35(32,33)27-17-4-3-11-29(23(17)31)18-8-7-15(13-16(18)25)28-10-2-1-5-20(28)30/h1-2,5-10,12-13,17,27H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12754 (1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidaz...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ncccc12)C(F)(F)F Show InChI InChI=1S/C24H16F4N8O/c25-16-10-14(35-12-32-22-18(35)5-2-8-31-22)6-7-17(16)33-23(37)19-11-20(24(26,27)28)34-36(19)15-4-1-3-13(9-15)21(29)30/h1-12H,(H3,29,30)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0240	-60.0	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12757 (1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidaz...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cccnc12)C(F)(F)F Show InChI InChI=1S/C24H16F4N8O/c25-16-10-14(35-12-32-18-5-2-8-31-22(18)35)6-7-17(16)33-23(37)19-11-20(24(26,27)28)34-36(19)15-4-1-3-13(9-15)21(29)30/h1-12H,(H3,29,30)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0280	-59.6	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12693 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12755 (1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidaz...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cnccc12)C(F)(F)F Show InChI InChI=1S/C24H16F4N8O/c25-16-9-14(35-12-32-18-11-31-7-6-19(18)35)4-5-17(16)33-23(37)20-10-21(24(26,27)28)34-36(20)15-3-1-2-13(8-15)22(29)30/h1-12H,(H3,29,30)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0360	-59.0	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374876 (CHEMBL270034) Show SMILES CNC(=O)CN(C1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 |w:6.5| Show InChI InChI=1S/C26H23ClFN5O5S2/c1-29-22(34)15-33(40(37,38)24-13-16-7-10-21(27)30-25(16)39-24)20-5-4-12-32(26(20)36)19-9-8-17(14-18(19)28)31-11-3-2-6-23(31)35/h2-3,6-11,13-14,20H,4-5,12,15H2,1H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374871 (CHEMBL258274) Show SMILES COC(=O)CN(C1CCCN(C1=O)c1ccc(cc1)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 |w:6.5| Show InChI InChI=1S/C26H23ClN4O6S2/c1-37-23(33)16-31(39(35,36)24-15-17-7-12-21(27)28-25(17)38-24)20-5-4-14-30(26(20)34)19-10-8-18(9-11-19)29-13-3-2-6-22(29)32/h2-3,6-13,15,20H,4-5,14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249295 (CHEMBL471725 | N-(5-chloropyridin-2-yl)-2-(4-(N,N-...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H20ClN5O2/c1-28(2)20(24)14-7-9-15(10-8-14)21(29)26-18-6-4-3-5-17(18)22(30)27-19-12-11-16(23)13-25-19/h3-13,24H,1-2H3,(H,26,29)(H,25,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50193861 (5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12756 (1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidaz...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccncc12)C(F)(F)F Show InChI InChI=1S/C24H16F4N8O/c25-16-9-14(35-12-32-18-6-7-31-11-20(18)35)4-5-17(16)33-23(37)19-10-21(24(26,27)28)34-36(19)15-3-1-2-13(8-15)22(29)30/h1-12H,(H3,29,30)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0440	-58.5	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374875 (CHEMBL269955) Show SMILES Clc1ccc2cc(sc2n1)S(=O)(=O)NC1CCCN(C1=O)c1ccc(cc1)-n1ccccc1=O |w:14.15| Show InChI InChI=1S/C23H19ClN4O4S2/c24-19-11-6-15-14-21(33-22(15)25-19)34(31,32)26-18-4-3-13-28(23(18)30)17-9-7-16(8-10-17)27-12-2-1-5-20(27)29/h1-2,5-12,14,18,26H,3-4,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419334 (CHEMBL1911965 | CHEMBL1911967) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CNC(=O)C1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-24(22-12-39-26(42)23(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22-23,41H,12,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					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 Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289438 ((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydr...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(CO)c2)C1=O Show InChI InChI=1S/C32H40N2O5/c35-18-9-3-8-17-33-28(20-24-11-4-1-5-12-24)30(37)31(38)29(21-25-13-6-2-7-14-25)34(32(33)39)22-26-15-10-16-27(19-26)23-36/h1-2,4-7,10-16,19,28-31,35-38H,3,8-9,17-18,20-23H2/t28-,29-,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12766 (1-(3-carbamimidoylphenyl)-N-[4-(2-oxo-2,7a-dihydro...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1c2ccccc2[nH]c1=O)C(F)(F)F Show InChI InChI=1S/C25H18F3N7O2/c26-25(27,28)21-13-20(35(33-21)17-5-3-4-14(12-17)22(29)30)23(36)31-15-8-10-16(11-9-15)34-19-7-2-1-6-18(19)32-24(34)37/h1-13H,(H3,29,30)(H,31,36)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0580	-57.8	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419337 (CHEMBL1911968) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CN(C)C(=O)C1CO Show InChI InChI=1S/C31H30F7N3O3/c1-16-8-20(32)6-7-21(16)22-12-25(23-14-40(4)27(43)24(23)15-42)39-13-26(22)41(5)28(44)29(2,3)17-9-18(30(33,34)35)11-19(10-17)31(36,37)38/h6-13,23-24,42H,14-15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419332 (CHEMBL1911964) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1NC(=O)CC1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12763 (1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(5-nitro-1...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(ccc12)[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C25H16F4N8O3/c26-17-9-14(35-12-32-19-10-16(37(39)40)5-7-20(19)35)4-6-18(17)33-24(38)21-11-22(25(27,28)29)34-36(21)15-3-1-2-13(8-15)23(30)31/h1-12H,(H3,30,31)(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	-57.1	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289443 ((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydr...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(O)c2)C1=O Show InChI InChI=1S/C31H38N2O5/c34-18-9-3-8-17-32-27(20-23-11-4-1-5-12-23)29(36)30(37)28(21-24-13-6-2-7-14-24)33(31(32)38)22-25-15-10-16-26(35)19-25/h1-2,4-7,10-16,19,27-30,34-37H,3,8-9,17-18,20-22H2/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12767 (1-(3-carbamimidoylphenyl)-N-[4-(1H-imidazol-1-yl)p...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1ccnc1)C(F)(F)F Show InChI InChI=1S/C21H16F3N7O/c22-21(23,24)18-11-17(31(29-18)16-3-1-2-13(10-16)19(25)26)20(32)28-14-4-6-15(7-5-14)30-9-8-27-12-30/h1-12H,(H3,25,26)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0910	-56.7	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12752 (N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)C(F)(F)F Show InChI InChI=1S/C25H18F3N7O/c26-25(27,28)22-13-21(35(33-22)18-5-3-4-15(12-18)23(29)30)24(36)32-16-8-10-17(11-9-16)34-14-31-19-6-1-2-7-20(19)34/h1-14H,(H3,29,30)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0940	-56.7	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12753 (N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-1-(...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccccc12)C(F)(F)F Show InChI InChI=1S/C25H17F4N7O/c26-17-11-15(35-13-32-19-6-1-2-7-20(19)35)8-9-18(17)33-24(37)21-12-22(25(27,28)29)34-36(21)16-5-3-4-14(10-16)23(30)31/h1-13H,(H3,30,31)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.100	-56.5	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50328716 (CHEMBL1270651 | N-(4-chloro-2-(5-chloropyridin-2-y...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C28H24Cl2N4O2/c1-34(2)17-20-5-3-4-6-23(20)18-7-9-19(10-8-18)27(35)32-25-13-11-21(29)15-24(25)28(36)33-26-14-12-22(30)16-31-26/h3-16H,17H2,1-2H3,(H,32,35)(H,31,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50084664 (({3-(5-Carbamimidoyl-2-hydroxy-phenoxy)-2,6-difluo...) Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)cc(Oc2cc(ccc2O)C(N)=N)c1F |t:18| Show InChI InChI=1S/C26H25F2N5O5/c1-32-9-8-31-26(32)15-4-3-5-16(10-15)37-19-12-20(23(28)24(22(19)27)33(2)13-21(35)36)38-18-11-14(25(29)30)6-7-17(18)34/h3-7,10-12,34H,8-9,13H2,1-2H3,(H3,29,30)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289441 ((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(4-hydr...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(CO)cc2)C1=O Show InChI InChI=1S/C32H40N2O5/c35-19-9-3-8-18-33-28(20-24-10-4-1-5-11-24)30(37)31(38)29(21-25-12-6-2-7-13-25)34(32(33)39)22-26-14-16-27(23-36)17-15-26/h1-2,4-7,10-17,28-31,35-38H,3,8-9,18-23H2/t28-,29-,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419333 (CHEMBL1911970) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CC(=O)NC1(CO)CO Show InChI InChI=1S/C31H30F7N3O4/c1-16-7-20(32)5-6-21(16)22-11-24(23-12-26(44)40-29(23,14-42)15-43)39-13-25(22)41(4)27(45)28(2,3)17-8-18(30(33,34)35)10-19(9-17)31(36,37)38/h5-11,13,23,42-43H,12,14-15H2,1-4H3,(H,40,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374874 (CHEMBL256820) Show SMILES NC(=O)CN(C1CCCN(C1=O)c1ccc(cc1)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 |w:5.4| Show InChI InChI=1S/C25H22ClN5O5S2/c26-20-11-6-16-14-23(37-24(16)28-20)38(35,36)31(15-21(27)32)19-4-3-13-30(25(19)34)18-9-7-17(8-10-18)29-12-2-1-5-22(29)33/h1-2,5-12,14,19H,3-4,13,15H2,(H2,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374880 (CHEMBL271904) Show SMILES Fc1cc(ccc1N1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-n1ccccc1=O |w:11.12| Show InChI InChI=1S/C26H21ClFN3O4S/c27-19-8-6-18-15-21(10-7-17(18)14-19)36(34,35)29-23-4-3-13-31(26(23)33)24-11-9-20(16-22(24)28)30-12-2-1-5-25(30)32/h1-2,5-12,14-16,23,29H,3-4,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249298 (BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12762 (N-[4-(5-amino-1H-1,3-benzodiazol-1-yl)-2-fluorophe...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(N)ccc12)C(F)(F)F Show InChI InChI=1S/C25H18F4N8O/c26-17-10-15(36-12-33-19-9-14(30)4-7-20(19)36)5-6-18(17)34-24(38)21-11-22(25(27,28)29)35-37(21)16-3-1-2-13(8-16)23(31)32/h1-12H,30H2,(H3,31,32)(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	-56.1	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50374873 (CHEMBL442457) Show SMILES OC(=O)CN(C1CCCN(C1=O)c1ccc(cc1)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 |w:5.4| Show InChI InChI=1S/C25H21ClN4O6S2/c26-20-11-6-16-14-23(37-24(16)27-20)38(35,36)30(15-22(32)33)19-4-3-13-29(25(19)34)18-9-7-17(8-10-18)28-12-2-1-5-21(28)31/h1-2,5-12,14,19H,3-4,13,15H2,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 2428-33 (2008) Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087533 (3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...) Show SMILES NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					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	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50419334 (CHEMBL1911965 | CHEMBL1911967) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CNC(=O)C1CO Show InChI InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-24(22-12-39-26(42)23(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22-23,41H,12,14H2,1-4H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium l...				Bioorg Med Chem Lett 21: 6899-904 (2011) Article DOI: 10.1016/j.bmcl.2011.07.116 BindingDB Entry DOI: 10.7270/Q24X592P
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50230322 (CHEMBL4071545) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12733 (3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)C(N)=O)C(F)(F)F Show InChI InChI=1S/C29H26F3N5O2/c1-35(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)36-15-14-24-25(28(36)39)37(34-26(24)29(30,31)32)22-8-5-7-19(16-22)27(33)38/h3-13,16H,14-15,17H2,1-2H3,(H2,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12769 (N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...) Show SMILES Cc1ncn(n1)-c1cc(C(=O)Nc2ccc(cc2)-n2cnc3ccccc23)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H22N10O/c1-17-30-16-36(33-17)25-14-24(37(34-25)21-6-4-5-18(13-21)26(28)29)27(38)32-19-9-11-20(12-10-19)35-15-31-22-7-2-3-8-23(22)35/h2-16H,1H3,(H3,28,29)(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50448583 (CHEMBL3127491) Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically				J Med Chem 57: 9915-32 (2014) Article DOI: 10.1021/jm5010607 BindingDB Entry DOI: 10.7270/Q2RV0Q9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12772 (N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...) Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C29H22N8O/c30-28(31)19-5-3-7-23(15-19)37-27(16-25(35-37)20-6-4-14-32-17-20)29(38)34-21-10-12-22(13-11-21)36-18-33-24-8-1-2-9-26(24)36/h1-18H,(H3,30,31)(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	-54.8	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 14: 5263-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50228676 ((S)-2-(5-chlorothiophen-2-yl)-N-(1-(4-(2-((dimethy...) Show SMILES CN(C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 Show InChI InChI=1S/C22H23ClFN5O3S2/c1-27(2)14-21-25-9-11-28(21)15-3-5-19(17(24)13-15)29-10-7-18(22(29)30)26-34(31,32)12-8-16-4-6-20(23)33-16/h3-6,8-9,11-13,18,26H,7,10,14H2,1-2H3/b12-8+/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50448581 (CHEMBL3127463) Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis				J Med Chem 57: 955-69 (2014) Article DOI: 10.1021/jm401670x BindingDB Entry DOI: 10.7270/Q2G44RTQ
					More data for this Ligand-Target Pair				3D Structure (crystal)

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