Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'leahy' and Initial = 'em'   

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 VII/Tissue factor (Homo sapiens (Human))	BDBM50103651 (2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for factor VIIa/TF				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50103651 (2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound towards urokinase-type plasminogen activator (microPa)				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50103651 (2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound towards Coagulation factor X				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181921 (2-[5-(5-carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H20N4O7/c26-24(27)13-4-5-20-15(6-13)10-21(28-20)19-9-14(18(25(33)34)11-22(30)31)8-17(23(19)32)12-2-1-3-16(7-12)29(35)36/h1-10,18,28,32H,11H2,(H3,26,27)(H,30,31)(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50180400 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50189939 (5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-6-hydrox...) Show SMILES Nc1nccc2[nH]c(cc12)-c1cc(cc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O)C(O)=O Show InChI InChI=1S/C30H26N4O5/c31-28-23-15-25(34-24(23)9-10-32-28)22-14-20(30(38)39)13-21(27(22)36)19-8-4-7-18(11-19)16-33-29(37)26(35)12-17-5-2-1-3-6-17/h1-11,13-15,26,34-36H,12,16H2,(H2,31,32)(H,33,37)(H,38,39)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to f7a/TF complex				Bioorg Med Chem Lett 16: 4567-70 (2006) Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180400 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181916 (CHEMBL206168 | [5-(5-carbamimidoyl-1H-benzoimidazo...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C22H17FN4O4/c23-12-2-4-18(28)13(9-12)14-5-10(7-19(29)30)6-15(20(14)31)22-26-16-3-1-11(21(24)25)8-17(16)27-22/h1-6,8-9,28,31H,7H2,(H3,24,25)(H,26,27)(H,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50189938 (2-{5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-3'-[3...) Show SMILES CC(C)(C(O)=O)c1cc(-c2cc3c(N)nccc3[nH]2)c(O)c(c1)-c1cccc(CNC(=O)Nc2c(F)cccc2F)c1 Show InChI InChI=1S/C31H27F2N5O4/c1-31(2,29(40)41)18-12-19(27(39)20(13-18)25-14-21-24(37-25)9-10-35-28(21)34)17-6-3-5-16(11-17)15-36-30(42)38-26-22(32)7-4-8-23(26)33/h3-14,37,39H,15H2,1-2H3,(H2,34,35)(H,40,41)(H2,36,38,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to f7a/TF complex				Bioorg Med Chem Lett 16: 4567-70 (2006) Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for factor VIIa/TF				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186211 (CHEMBL211482 | N-[3'-(5-carbamimidoyl-1H-indol-2-y...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1O)-c1cc(CNC(=O)CO)ccc1O Show InChI InChI=1S/C24H22N4O4/c25-24(26)14-5-6-19-15(9-14)10-20(28-19)17-3-1-2-16(23(17)32)18-8-13(4-7-21(18)30)11-27-22(31)12-29/h1-10,28-30,32H,11-12H2,(H3,25,26)(H,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
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50103655 (CHEMBL72231 | Phosphoric acid mono-{2-[5-(5-carbam...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CCO[P+](O)(O)[O-])cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H21N4O7P/c24-23(25)15-4-5-20-16(10-15)12-21(26-20)19-9-13(6-7-34-35(31,32)33)8-18(22(19)28)14-2-1-3-17(11-14)27(29)30/h1-5,8-12,26,28H,6-7H2,(H3,24,25)(H2,31,32,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for factor VIIa/TF				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50103651 (2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound towards Plasmin				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM14898 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181919 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-fl...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(CC(O)=O)C(O)=O)cc(c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C25H21FN4O6/c26-14-2-4-20(31)15(10-14)16-6-11(5-13(25(35)36)9-21(32)33)7-17(22(16)34)24-29-18-3-1-12(23(27)28)8-19(18)30-24/h1-4,6-8,10,13,31,34H,5,9H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186210 (2-(2,2'-dihydroxy-5-methyl-5'-ureidomethyl-bipheny...) Show SMILES Cc1cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c(c1)-c1cc(CNC(N)=O)ccc1O Show InChI InChI=1S/C23H22N6O3/c1-11-6-15(14-8-12(2-5-19(14)30)10-27-23(26)32)20(31)16(7-11)22-28-17-4-3-13(21(24)25)9-18(17)29-22/h2-9,30-31H,10H2,1H3,(H3,24,25)(H,28,29)(H3,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM14898 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50103651 (2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound towards Coagulation factor II				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50103651 (2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound towards Trypsin				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186216 (2-(5-fluoro-2,2'-dihydroxy-5'-ureidomethyl-bipheny...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(F)cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H19FN6O3/c23-12-7-14(13-5-10(1-4-18(13)30)9-27-22(26)32)19(31)15(8-12)21-28-16-3-2-11(20(24)25)6-17(16)29-21/h1-8,30-31H,9H2,(H3,24,25)(H,28,29)(H3,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50103652 (5-(5-Carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-nit...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C22H16N4O5/c23-21(24)12-4-5-18-13(6-12)10-19(25-18)17-9-14(22(28)29)8-16(20(17)27)11-2-1-3-15(7-11)26(30)31/h1-10,25,27H,(H3,23,24)(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for factor VIIa/TF				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50103662 (CHEMBL73162 | [3'-Amino-5-(5-carbamimidoyl-1H-indo...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(N)c1 Show InChI InChI=1S/C23H20N4O3/c24-16-3-1-2-13(10-16)17-6-12(8-21(28)29)7-18(22(17)30)20-11-15-9-14(23(25)26)4-5-19(15)27-20/h1-7,9-11,27,30H,8,24H2,(H3,25,26)(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for factor VIIa/TF				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180405 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-ca...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(CC(O)=O)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H22N4O8/c27-24(28)12-2-3-18-19(9-12)30-25(29-18)17-8-13(14(26(37)38)10-22(34)35)7-16(23(17)36)15-5-11(6-21(32)33)1-4-20(15)31/h1-5,7-9,14,31,36H,6,10H2,(H3,27,28)(H,29,30)(H,32,33)(H,34,35)(H,37,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180403 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-ca...) Show SMILES NC(=O)Cc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H23N5O7/c27-21(33)6-11-1-4-20(32)15(5-11)16-7-13(14(26(37)38)10-22(34)35)8-17(23(16)36)25-30-18-3-2-12(24(28)29)9-19(18)31-25/h1-5,7-9,14,32,36H,6,10H2,(H2,27,33)(H3,28,29)(H,30,31)(H,34,35)(H,37,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14863 (({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 3197-200 (2006) Article DOI: 10.1016/j.bmcl.2006.03.049 BindingDB Entry DOI: 10.7270/Q20P0X9Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181917 (3-[5-(5-carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(CC(O)=O)CC(O)=O Show InChI InChI=1S/C26H22N4O7/c27-26(28)14-4-5-21-17(6-14)10-22(29-21)20-9-15(16(11-23(31)32)12-24(33)34)8-19(25(20)35)13-2-1-3-18(7-13)30(36)37/h1-10,16,29,35H,11-12H2,(H3,27,28)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180404 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-(2...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(CCC(O)=O)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C27H24N4O8/c28-25(29)13-3-4-19-20(10-13)31-26(30-19)18-9-14(15(27(38)39)11-23(35)36)8-17(24(18)37)16-7-12(1-5-21(16)32)2-6-22(33)34/h1,3-5,7-10,15,32,37H,2,6,11H2,(H3,28,29)(H,30,31)(H,33,34)(H,35,36)(H,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186214 (CHEMBL380098 | hexanoic acid [3'-(5-carbamimidoyl-...) Show SMILES CCCCCC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C28H30N4O3/c1-2-3-4-8-26(34)31-16-17-9-12-25(33)22(13-17)20-6-5-7-21(27(20)35)24-15-19-14-18(28(29)30)10-11-23(19)32-24/h5-7,9-15,32-33,35H,2-4,8,16H2,1H3,(H3,29,30)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM14863 (({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to f7a/TF complex				Bioorg Med Chem Lett 16: 4567-70 (2006) Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186217 (CHEMBL377990 | [5-(5-carbamimidoyl-1H-benzoimidazo...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(CC(O)=O)cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C24H22N6O5/c25-22(26)13-2-3-17-18(9-13)30-23(29-17)16-7-12(8-20(32)33)6-15(21(16)34)14-5-11(1-4-19(14)31)10-28-24(27)35/h1-7,9,31,34H,8,10H2,(H3,25,26)(H,29,30)(H,32,33)(H3,27,28,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14863 (({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180401 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-ca...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)C(N)=O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H21N5O7/c26-22(27)10-1-3-17-18(8-10)30-24(29-17)16-7-12(13(25(36)37)9-20(32)33)6-15(21(16)34)14-5-11(23(28)35)2-4-19(14)31/h1-8,13,31,34H,9H2,(H3,26,27)(H2,28,35)(H,29,30)(H,32,33)(H,36,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50189941 (2-{5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-6-hyd...) Show SMILES CC(C)(C(O)=O)c1cc(-c2cc3c(N)nccc3[nH]2)c(O)c(c1)-c1cccc(CNC(=O)[C@@H](O)Cc2ccccc2)c1 Show InChI InChI=1S/C33H32N4O5/c1-33(2,32(41)42)22-15-23(29(39)24(16-22)27-17-25-26(37-27)11-12-35-30(25)34)21-10-6-9-20(13-21)18-36-31(40)28(38)14-19-7-4-3-5-8-19/h3-13,15-17,28,37-39H,14,18H2,1-2H3,(H2,34,35)(H,36,40)(H,41,42)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to f7a/TF complex				Bioorg Med Chem Lett 16: 4567-70 (2006) Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM13776 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17-18(10-13)26-22(25-17)16-7-11(8-19(28)29)6-15(20(16)30)12-2-1-3-14(9-12)27(31)32/h1-7,9-10,30H,8H2,(H3,23,24)(H,25,26)(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186212 (CHEMBL214351 | N-[3'-(5-carbamimidoyl-1H-indol-2-y...) Show SMILES CN(C)CCCC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C28H31N5O3/c1-33(2)12-4-7-26(35)31-16-17-8-11-25(34)22(13-17)20-5-3-6-21(27(20)36)24-15-19-14-18(28(29)30)9-10-23(19)32-24/h3,5-6,8-11,13-15,32,34,36H,4,7,12,16H2,1-2H3,(H3,29,30)(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181915 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CCC(O)=O)C(O)=O Show InChI InChI=1S/C25H21N5O7/c26-23(27)13-4-6-19-20(11-13)29-24(28-19)18-10-14(16(25(34)35)5-7-21(31)32)9-17(22(18)33)12-2-1-3-15(8-12)30(36)37/h1-4,6,8-11,16,33H,5,7H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186215 (CHEMBL214352 | morpholine-4-carboxylic acid [3'-(5...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1O)-c1cc(CNC(=O)N2CCOCC2)ccc1O Show InChI InChI=1S/C27H27N5O4/c28-26(29)17-5-6-22-18(13-17)14-23(31-22)20-3-1-2-19(25(20)34)21-12-16(4-7-24(21)33)15-30-27(35)32-8-10-36-11-9-32/h1-7,12-14,31,33-34H,8-11,15H2,(H3,28,29)(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50189942 (4-{3-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-5...) Show SMILES CC(C)(C(O)=O)c1cc(-c2cc3c(N)nccc3[nH]2)c(O)c(c1)-c1cccc(CNC(=O)Nc2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C32H29N5O6/c1-32(2,30(41)42)20-13-22(27(38)23(14-20)26-15-24-25(37-26)10-11-34-28(24)33)19-5-3-4-17(12-19)16-35-31(43)36-21-8-6-18(7-9-21)29(39)40/h3-15,37-38H,16H2,1-2H3,(H2,33,34)(H,39,40)(H,41,42)(H2,35,36,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to f7a/TF complex				Bioorg Med Chem Lett 16: 4567-70 (2006) Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181920 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(C(O)=O)C(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O Show InChI InChI=1S/C24H19N5O7/c25-21(26)13-4-5-18-19(10-13)28-22(27-18)16-7-11(8-17(23(31)32)24(33)34)6-15(20(16)30)12-2-1-3-14(9-12)29(35)36/h1-7,9-10,17,30H,8H2,(H3,25,26)(H,27,28)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM14908 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19N5O7/c25-22(26)12-4-5-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-2-1-3-14(6-11)29(35)36/h1-9,16,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50103660 (3-[5-(5-Carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CCC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H20N4O5/c25-24(26)15-5-6-20-16(10-15)12-21(27-20)19-9-13(4-7-22(29)30)8-18(23(19)31)14-2-1-3-17(11-14)28(32)33/h1-3,5-6,8-12,27,31H,4,7H2,(H3,25,26)(H,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for factor VIIa/TF				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14880 (1-(2,4-dimethoxyphenyl)-3-{[3-(2-hydroxy-3-{1H-pyr...) Show SMILES COc1ccc(NC(=O)NCc2cccc(c2)-c2cccc(-c3cc4cnccc4[nH]3)c2O)c(OC)c1 Show InChI InChI=1S/C29H26N4O4/c1-36-21-9-10-25(27(15-21)37-2)33-29(35)31-16-18-5-3-6-19(13-18)22-7-4-8-23(28(22)34)26-14-20-17-30-12-11-24(20)32-26/h3-15,17,32,34H,16H2,1-2H3,(H2,31,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 3197-200 (2006) Article DOI: 10.1016/j.bmcl.2006.03.049 BindingDB Entry DOI: 10.7270/Q20P0X9Q
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14872 (1-(2,6-difluorophenyl)-3-{[3-(2-hydroxy-3-{1H-pyrr...) Show SMILES Oc1c(cccc1-c1cccc(CNC(=O)Nc2c(F)cccc2F)c1)-c1cc2cnccc2[nH]1 Show InChI InChI=1S/C27H20F2N4O2/c28-21-8-3-9-22(29)25(21)33-27(35)31-14-16-4-1-5-17(12-16)19-6-2-7-20(26(19)34)24-13-18-15-30-11-10-23(18)32-24/h1-13,15,32,34H,14H2,(H2,31,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	-42.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 3197-200 (2006) Article DOI: 10.1016/j.bmcl.2006.03.049 BindingDB Entry DOI: 10.7270/Q20P0X9Q
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50103654 (CHEMBL310933 | [5-(5-Carbamimidoyl-1H-indol-2-yl)-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H18ClN3O3/c24-16-3-1-2-13(10-16)17-6-12(8-21(28)29)7-18(22(17)30)20-11-15-9-14(23(25)26)4-5-19(15)27-20/h1-7,9-11,27,30H,8H2,(H3,25,26)(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for factor VIIa/TF				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180406 (2-[5'-aminomethyl-5-(5-carbamimidoyl-1H-benzoimida...) Show SMILES NCc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H23N5O6/c26-10-11-1-4-20(31)15(5-11)16-6-13(14(25(35)36)9-21(32)33)7-17(22(16)34)24-29-18-3-2-12(23(27)28)8-19(18)30-24/h1-8,14,31,34H,9-10,26H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181918 (3-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CC(O)=O)CC(O)=O Show InChI InChI=1S/C25H21N5O7/c26-24(27)13-4-5-19-20(9-13)29-25(28-19)18-8-14(15(10-21(31)32)11-22(33)34)7-17(23(18)35)12-2-1-3-16(6-12)30(36)37/h1-9,15,35H,10-11H2,(H3,26,27)(H,28,29)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50103656 (CHEMBL73411 | [5-(5-Carbamimidoyl-1H-indol-2-yl)-6...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1ccccc1 Show InChI InChI=1S/C23H19N3O3/c24-23(25)15-6-7-19-16(11-15)12-20(26-19)18-9-13(10-21(27)28)8-17(22(18)29)14-4-2-1-3-5-14/h1-9,11-12,26,29H,10H2,(H3,24,25)(H,27,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for factor VIIa/TF				Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180407 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-ca...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)C(O)=O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H20N4O8/c26-22(27)10-1-3-17-18(8-10)29-23(28-17)16-7-12(13(25(36)37)9-20(31)32)6-15(21(16)33)14-5-11(24(34)35)2-4-19(14)30/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)(H,36,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180402 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-...) Show SMILES NC(=O)Nc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N6O7/c26-22(27)10-1-3-17-18(7-10)31-23(30-17)16-6-11(13(24(36)37)9-20(33)34)5-15(21(16)35)14-8-12(29-25(28)38)2-4-19(14)32/h1-8,13,32,35H,9H2,(H3,26,27)(H,30,31)(H,33,34)(H,36,37)(H3,28,29,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 102 total )  |  Next  |  Last  >>

Jump to: