Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'ayral' and Initial = 'e'   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	8	-43.0	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233176 (Sodium 8-hydroxy-8-(2-octyloxy-quinolin-3-yl)-oct-...) Show SMILES CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C25H33NO4/c1-2-3-4-5-8-13-18-30-25-21(19-20-14-11-12-15-22(20)26-25)23(27)16-9-6-7-10-17-24(28)29/h11-12,14-15,19,23,27H,2-5,7-8,10,13,16-18H2,1H3,(H,28,29)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	378	-34.1	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233183 (Sodium 8-hydroxy-8-(6-methoxy-2-pentyloxy-quinolin...) Show SMILES CCCCCOc1nc2ccc(OC)cc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C23H29NO5/c1-3-4-9-14-29-23-19(21(25)10-7-5-6-8-11-22(26)27)16-17-15-18(28-2)12-13-20(17)24-23/h12-13,15-16,21,25H,3-4,6,8-11,14H2,1-2H3,(H,26,27)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	583	-33.1	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50172802 (CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	947	-32.0	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233180 (Sodium [5-hydroxy-5-(2-pentyloxy-quinolin-3-yl)-pe...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCOCC([O-])=O Show InChI InChI=1S/C21H25NO5/c1-2-3-7-13-27-21-17(14-16-9-4-5-10-18(16)22-21)19(23)11-6-8-12-26-15-20(24)25/h4-5,9-10,14,19,23H,2-3,7,11-13,15H2,1H3,(H,24,25)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.93E+3	-30.3	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233181 (Sodium [5-hydroxy-5-(2-methoxy-quinolin-3-yl)-pent...) Show SMILES COc1nc2ccccc2cc1C(O)CC#CCOCC([O-])=O Show InChI InChI=1S/C17H17NO5/c1-22-17-13(10-12-6-2-3-7-14(12)18-17)15(19)8-4-5-9-23-11-16(20)21/h2-3,6-7,10,15,19H,8-9,11H2,1H3,(H,20,21)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.81E+3	-28.8	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50172813 (8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C23H29NO4/c1-3-4-11-16-28-23-19(17-18-12-9-10-13-20(18)24-23)21(25)14-7-5-6-8-15-22(26)27-2/h9-10,12-13,17,21,25H,3-4,6,8,11,14-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233177 (Sodium 8-hydroxy-8-[2-(3-methoxy-propoxy)-quinolin...) Show SMILES COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C21H25NO5/c1-26-13-8-14-27-21-17(15-16-9-6-7-10-18(16)22-21)19(23)11-4-2-3-5-12-20(24)25/h6-7,9-10,15,19,23H,3,5,8,11-14H2,1H3,(H,24,25)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233172 (8-Hydroxy-8-(2-octyloxy-quinolin-3-yl)-oct-5-ynoic...) Show SMILES CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C26H35NO4/c1-3-4-5-6-9-14-19-31-26-22(20-21-15-12-13-16-23(21)27-26)24(28)17-10-7-8-11-18-25(29)30-2/h12-13,15-16,20,24,28H,3-6,8-9,11,14,17-19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233179 (8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)NCCO Show InChI InChI=1S/C24H32N2O4/c1-2-3-10-17-30-24-20(18-19-11-8-9-12-21(19)26-24)22(28)13-6-4-5-7-14-23(29)25-15-16-27/h8-9,11-12,18,22,27-28H,2-3,5,7,10,13-17H2,1H3,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233182 (8-Hydroxy-8-(2-pentyloxy-benzo[h]quinolin-3-yl)-oc...) Show SMILES CCCCCOc1nc2c(ccc3ccccc23)cc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C27H31NO4/c1-3-4-11-18-32-27-23(24(29)14-7-5-6-8-15-25(30)31-2)19-21-17-16-20-12-9-10-13-22(20)26(21)28-27/h9-10,12-13,16-17,19,24,29H,3-4,6,8,11,14-15,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233184 (Sodium 8-hydroxy-8-(2-pentyloxy-benzo[h]quinolin-3...) Show SMILES CCCCCOc1nc2c(ccc3ccccc23)cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C26H29NO4/c1-2-3-10-17-31-26-22(23(28)13-6-4-5-7-14-24(29)30)18-20-16-15-19-11-8-9-12-21(19)25(20)27-26/h8-9,11-12,15-16,18,23,28H,2-3,5,7,10,13-14,17H2,1H3,(H,29,30)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233175 (Sodium 8-hydroxy-8-(2-methoxy-quinolin-3-yl)-oct-5...) Show SMILES COc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C18H19NO4/c1-23-18-14(12-13-8-6-7-9-15(13)19-18)16(20)10-4-2-3-5-11-17(21)22/h6-9,12,16,20H,3,5,10-11H2,1H3,(H,21,22)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233174 (8-Hydroxy-8-[2-(4,4,4-trifluoro-butoxy)-quinolin-3...) Show SMILES COC(=O)CCCC#CCC(O)c1cc2ccccc2nc1OCCCC(F)(F)F Show InChI InChI=1S/C22H24F3NO4/c1-29-20(28)12-5-3-2-4-11-19(27)17-15-16-9-6-7-10-18(16)26-21(17)30-14-8-13-22(23,24)25/h6-7,9-10,15,19,27H,3,5,8,11-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233173 (8-Hydroxy-8-[2-(3-methoxy-propoxy)-quinolin-3-yl]-...) Show SMILES COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C22H27NO5/c1-26-14-9-15-28-22-18(16-17-10-7-8-11-19(17)23-22)20(24)12-5-3-4-6-13-21(25)27-2/h7-8,10-11,16,20,24H,4,6,9,12-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233178 (Sodium 8-hydroxy-8-[2-(4,4,4-trifluoro-butoxy)-qui...) Show SMILES OC(CC#CCCCC([O-])=O)c1cc2ccccc2nc1OCCCC(F)(F)F Show InChI InChI=1S/C21H22F3NO4/c22-21(23,24)12-7-13-29-20-16(14-15-8-5-6-9-17(15)25-20)18(26)10-3-1-2-4-11-19(27)28/h5-6,8-9,14,18,26H,2,4,7,10-13H2,(H,27,28)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293389 (CHEMBL553237 | {(3S)-5-[2-({4-[Amino(imino)methyl]...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C28H29N5O6S2/c29-27(30)21-9-6-18(7-10-21)14-31-25(34)15-33-23-12-20(13-26(35)36)8-11-24(23)40-16-22(28(33)37)32-41(38,39)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17H2,(H3,29,30)(H,31,34)(H,35,36)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50293383 (2-[(3S)-3-[Benzylsulfonylamino]-7-(3-nitrophenyl)-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C32H30N6O6S2/c33-31(34)23-11-9-21(10-12-23)17-35-30(39)18-37-28-16-25(24-7-4-8-26(15-24)38(41)42)13-14-29(28)45-19-27(32(37)40)36-46(43,44)20-22-5-2-1-3-6-22/h1-16,27,36H,17-20H2,(H3,33,34)(H,35,39)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 2a by spectrophotometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293387 (2-[(3S)-8-Aminomethyl-3-[benzylsulfonylamino]-4-ox...) Show SMILES NCc1ccc2N(CC(=O)NCc3ccc(cc3)C(N)=N)C(=O)[C@@H](CSc2c1)NS(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-23-24(12-20)38-16-22(32-39(36,37)17-19-4-2-1-3-5-19)27(35)33(23)15-25(34)31-14-18-6-9-21(10-7-18)26(29)30/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293384 (2-Amino-3-{(3S)-5-[2-({4-[amino(imino)methyl]benzy...) Show SMILES NC(Cc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1)C(O)=O |r| Show InChI InChI=1S/C29H32N6O6S2/c30-22(29(38)39)12-20-8-11-25-24(13-20)35(15-26(36)33-14-18-6-9-21(10-7-18)27(31)32)28(37)23(16-42-25)34-43(40,41)17-19-4-2-1-3-5-19/h1-11,13,22-23,34H,12,14-17,30H2,(H3,31,32)(H,33,36)(H,38,39)/t22?,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293385 (2-[(3S)-7-[2-Aminoethyl]-3-[benzylsulfonylamino]-4...) Show SMILES NCCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r| Show InChI InChI=1S/C28H32N6O4S2/c29-13-12-19-8-11-25-24(14-19)34(16-26(35)32-15-20-6-9-22(10-7-20)27(30)31)28(36)23(17-39-25)33-40(37,38)18-21-4-2-1-3-5-21/h1-11,14,23,33H,12-13,15-18,29H2,(H3,30,31)(H,32,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293384 (2-Amino-3-{(3S)-5-[2-({4-[amino(imino)methyl]benzy...) Show SMILES NC(Cc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1)C(O)=O |r| Show InChI InChI=1S/C29H32N6O6S2/c30-22(29(38)39)12-20-8-11-25-24(13-20)35(15-26(36)33-14-18-6-9-21(10-7-18)27(31)32)28(37)23(16-42-25)34-43(40,41)17-19-4-2-1-3-5-19/h1-11,13,22-23,34H,12,14-17,30H2,(H3,31,32)(H,33,36)(H,38,39)/t22?,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293391 (2-[(3S)-7-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(N)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-23-22(12-20)32(14-24(33)30-13-17-6-8-19(9-7-17)25(28)29)26(34)21(15-37-23)31-38(35,36)16-18-4-2-1-3-5-18/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293390 (2-[(3S)-8-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(N)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-22-23(12-20)37-15-21(31-38(35,36)16-18-4-2-1-3-5-18)26(34)32(22)14-24(33)30-13-17-6-8-19(9-7-17)25(28)29/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293388 (2-[(3S)-7-Aminomethyl-3-[benzylsulfonylamino]-4-ox...) Show SMILES NCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r| Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-24-23(12-20)33(15-25(34)31-14-18-6-9-21(10-7-18)26(29)30)27(35)22(16-38-24)32-39(36,37)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293388 (2-[(3S)-7-Aminomethyl-3-[benzylsulfonylamino]-4-ox...) Show SMILES NCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r| Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-24-23(12-20)33(15-25(34)31-14-18-6-9-21(10-7-18)26(29)30)27(35)22(16-38-24)32-39(36,37)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50293391 (2-[(3S)-7-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(N)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-23-22(12-20)32(14-24(33)30-13-17-6-8-19(9-7-17)25(28)29)26(34)21(15-37-23)31-38(35,36)16-18-4-2-1-3-5-18/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 2a by spectrophotometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293386 (CHEMBL554824 | {(3S)-5-[2-({4-[Amino(imino)methyl]...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CCC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C29H31N5O6S2/c30-28(31)22-10-6-20(7-11-22)15-32-26(35)16-34-24-14-19(9-13-27(36)37)8-12-25(24)41-17-23(29(34)38)33-42(39,40)18-21-4-2-1-3-5-21/h1-8,10-12,14,23,33H,9,13,15-18H2,(H3,30,31)(H,32,35)(H,36,37)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293391 (2-[(3S)-7-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(N)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-23-22(12-20)32(14-24(33)30-13-17-6-8-19(9-7-17)25(28)29)26(34)21(15-37-23)31-38(35,36)16-18-4-2-1-3-5-18/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293386 (CHEMBL554824 | {(3S)-5-[2-({4-[Amino(imino)methyl]...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CCC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C29H31N5O6S2/c30-28(31)22-10-6-20(7-11-22)15-32-26(35)16-34-24-14-19(9-13-27(36)37)8-12-25(24)41-17-23(29(34)38)33-42(39,40)18-21-4-2-1-3-5-21/h1-8,10-12,14,23,33H,9,13,15-18H2,(H3,30,31)(H,32,35)(H,36,37)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293385 (2-[(3S)-7-[2-Aminoethyl]-3-[benzylsulfonylamino]-4...) Show SMILES NCCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r| Show InChI InChI=1S/C28H32N6O4S2/c29-13-12-19-8-11-25-24(14-19)34(16-26(35)32-15-20-6-9-22(10-7-20)27(30)31)28(36)23(17-39-25)33-40(37,38)18-21-4-2-1-3-5-21/h1-11,14,23,33H,12-13,15-18,29H2,(H3,30,31)(H,32,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293383 (2-[(3S)-3-[Benzylsulfonylamino]-7-(3-nitrophenyl)-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C32H30N6O6S2/c33-31(34)23-11-9-21(10-12-23)17-35-30(39)18-37-28-16-25(24-7-4-8-26(15-24)38(41)42)13-14-29(28)45-19-27(32(37)40)36-46(43,44)20-22-5-2-1-3-6-22/h1-16,27,36H,17-20H2,(H3,33,34)(H,35,39)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293389 (CHEMBL553237 | {(3S)-5-[2-({4-[Amino(imino)methyl]...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C28H29N5O6S2/c29-27(30)21-9-6-18(7-10-21)14-31-25(34)15-33-23-12-20(13-26(35)36)8-11-24(23)40-16-22(28(33)37)32-41(38,39)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17H2,(H3,29,30)(H,31,34)(H,35,36)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293382 (2-[(3S)-7-(3-Aminophenyl)-3-[benzylsulfonylamino]-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(N)c2)cc1 |r| Show InChI InChI=1S/C32H32N6O4S2/c33-26-8-4-7-24(15-26)25-13-14-29-28(16-25)38(18-30(39)36-17-21-9-11-23(12-10-21)31(34)35)32(40)27(19-43-29)37-44(41,42)20-22-5-2-1-3-6-22/h1-16,27,37H,17-20,33H2,(H3,34,35)(H,36,39)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50293379 ((R)-N-(4-carbamimidoylbenzyl)-2-(4-oxo-3-(phenylme...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccccc3SC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C26H27N5O4S2/c27-25(28)20-12-10-18(11-13-20)14-29-24(32)15-31-22-8-4-5-9-23(22)36-16-21(26(31)33)30-37(34,35)17-19-6-2-1-3-7-19/h1-13,21,30H,14-17H2,(H3,27,28)(H,29,32)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 10a by spectrometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293401 ((3S)-5-[2-([4-[Amino(imino)methyl]benzyl]amino)-2-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H27N5O6S2/c28-25(29)19-8-6-17(7-9-19)13-30-24(33)14-32-22-12-20(27(35)36)10-11-23(22)39-15-21(26(32)34)31-40(37,38)16-18-4-2-1-3-5-18/h1-12,21,31H,13-16H2,(H3,28,29)(H,30,33)(H,35,36)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293390 (2-[(3S)-8-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(N)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-22-23(12-20)37-15-21(31-38(35,36)16-18-4-2-1-3-5-18)26(34)32(22)14-24(33)30-13-17-6-8-19(9-7-17)25(28)29/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293387 (2-[(3S)-8-Aminomethyl-3-[benzylsulfonylamino]-4-ox...) Show SMILES NCc1ccc2N(CC(=O)NCc3ccc(cc3)C(N)=N)C(=O)[C@@H](CSc2c1)NS(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-23-24(12-20)38-16-22(32-39(36,37)17-19-4-2-1-3-5-19)27(35)33(23)15-25(34)31-14-18-6-9-21(10-7-18)26(29)30/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293383 (2-[(3S)-3-[Benzylsulfonylamino]-7-(3-nitrophenyl)-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C32H30N6O6S2/c33-31(34)23-11-9-21(10-12-23)17-35-30(39)18-37-28-16-25(24-7-4-8-26(15-24)38(41)42)13-14-29(28)45-19-27(32(37)40)36-46(43,44)20-22-5-2-1-3-6-22/h1-16,27,36H,17-20H2,(H3,33,34)(H,35,39)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50293385 (2-[(3S)-7-[2-Aminoethyl]-3-[benzylsulfonylamino]-4...) Show SMILES NCCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r| Show InChI InChI=1S/C28H32N6O4S2/c29-13-12-19-8-11-25-24(14-19)34(16-26(35)32-15-20-6-9-22(10-7-20)27(30)31)28(36)23(17-39-25)33-40(37,38)18-21-4-2-1-3-5-21/h1-11,14,23,33H,12-13,15-18,29H2,(H3,30,31)(H,32,35)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 2a by spectrophotometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293382 (2-[(3S)-7-(3-Aminophenyl)-3-[benzylsulfonylamino]-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(N)c2)cc1 |r| Show InChI InChI=1S/C32H32N6O4S2/c33-26-8-4-7-24(15-26)25-13-14-29-28(16-25)38(18-30(39)36-17-21-9-11-23(12-10-21)31(34)35)32(40)27(19-43-29)37-44(41,42)20-22-5-2-1-3-6-22/h1-16,27,37H,17-20,33H2,(H3,34,35)(H,36,39)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50293390 (2-[(3S)-8-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(N)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-22-23(12-20)37-15-21(31-38(35,36)16-18-4-2-1-3-5-18)26(34)32(22)14-24(33)30-13-17-6-8-19(9-7-17)25(28)29/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 2a by spectrophotometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50293387 (2-[(3S)-8-Aminomethyl-3-[benzylsulfonylamino]-4-ox...) Show SMILES NCc1ccc2N(CC(=O)NCc3ccc(cc3)C(N)=N)C(=O)[C@@H](CSc2c1)NS(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-23-24(12-20)38-16-22(32-39(36,37)17-19-4-2-1-3-5-19)27(35)33(23)15-25(34)31-14-18-6-9-21(10-7-18)26(29)30/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 2a by spectrophotometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50293382 (2-[(3S)-7-(3-Aminophenyl)-3-[benzylsulfonylamino]-...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(N)c2)cc1 |r| Show InChI InChI=1S/C32H32N6O4S2/c33-26-8-4-7-24(15-26)25-13-14-29-28(16-25)38(18-30(39)36-17-21-9-11-23(12-10-21)31(34)35)32(40)27(19-43-29)37-44(41,42)20-22-5-2-1-3-6-22/h1-16,27,37H,17-20,33H2,(H3,34,35)(H,36,39)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 2a by spectrophotometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50293388 (2-[(3S)-7-Aminomethyl-3-[benzylsulfonylamino]-4-ox...) Show SMILES NCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r| Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-24-23(12-20)33(15-25(34)31-14-18-6-9-21(10-7-18)26(29)30)27(35)22(16-38-24)32-39(36,37)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human factor 2a by spectrophotometry				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293397 (2-[(3S)-3-[Benzylsulfonylamino]-4-oxo-7-phenyl-3,4...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C32H31N5O4S2/c33-31(34)25-13-11-22(12-14-25)18-35-30(38)19-37-28-17-26(24-9-5-2-6-10-24)15-16-29(28)42-20-27(32(37)39)36-43(40,41)21-23-7-3-1-4-8-23/h1-17,27,36H,18-21H2,(H3,33,34)(H,35,38)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293398 (CHEMBL552926 | {(3S)-5-[2-({4-[Amino(imino)methyl]...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(CCC(O)=O)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C29H31N5O6S2/c30-28(31)22-10-6-20(7-11-22)15-32-26(35)16-34-24-12-8-19(9-13-27(36)37)14-25(24)41-17-23(29(34)38)33-42(39,40)18-21-4-2-1-3-5-21/h1-8,10-12,14,23,33H,9,13,15-18H2,(H3,30,31)(H,32,35)(H,36,37)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293399 (CHEMBL554142 | {(3S)-5-[2-({4-[Amino(imino)methyl]...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(CC(O)=O)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C28H29N5O6S2/c29-27(30)21-9-6-18(7-10-21)14-31-25(34)15-33-23-11-8-20(13-26(35)36)12-24(23)40-16-22(28(33)37)32-41(38,39)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17H2,(H3,29,30)(H,31,34)(H,35,36)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293408 ((S)-2-(5-(2-(4-carbamimidoylbenzylamino)-2-oxoethy...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccccc3SC[C@@H](NCC(O)=O)C2=O)cc1 |r| Show InChI InChI=1S/C21H23N5O4S/c22-20(23)14-7-5-13(6-8-14)9-25-18(27)11-26-16-3-1-2-4-17(16)31-12-15(21(26)30)24-10-19(28)29/h1-8,15,24H,9-12H2,(H3,22,23)(H,25,27)(H,28,29)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50293377 ((R)-N-(4-carbamimidoylbenzyl)-3-(4-oxo-3-(phenylme...) Show SMILES NC(=N)c1ccc(CNC(=O)CCN2c3ccccc3SC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C27H29N5O4S2/c28-26(29)21-12-10-19(11-13-21)16-30-25(33)14-15-32-23-8-4-5-9-24(23)37-17-22(27(32)34)31-38(35,36)18-20-6-2-1-3-7-20/h1-13,22,31H,14-18H2,(H3,28,29)(H,30,33)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair

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