Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'stephens' and Initial = 'r'   

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))	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))	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 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					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))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	-44.2	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					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))	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 (Homo sapiens (Human))	BDBM13786 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(CNC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C29H25N5O4/c30-26-10-9-23-25(34-26)15-24(33-23)22-13-18(14-27(35)36)12-21(28(22)37)19-6-4-5-17(11-19)16-31-29(38)32-20-7-2-1-3-8-20/h1-13,15,33,37H,14,16H2,(H2,30,34)(H,35,36)(H2,31,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-43.5	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor X (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	-41.3	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13787 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(CNC(=O)Nc2cccnc2)c1 Show InChI InChI=1S/C28H24N6O4/c29-25-7-6-22-24(34-25)13-23(33-22)21-11-17(12-26(35)36)10-20(27(21)37)18-4-1-3-16(9-18)14-31-28(38)32-19-5-2-8-30-15-19/h1-11,13,15,33,37H,12,14H2,(H2,29,34)(H,35,36)(H2,31,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	-40.7	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50189937 ((S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-...) Show SMILES Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O Show InChI InChI=1S/C29H26N4O3/c30-28-23-16-25(33-24(23)12-13-31-28)22-11-5-10-21(27(22)35)20-9-4-8-19(14-20)17-32-29(36)26(34)15-18-6-2-1-3-7-18/h1-14,16,26,33-35H,15,17H2,(H2,30,31)(H,32,36)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	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))	BDBM50189940 ((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...) Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	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))	BDBM13781 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H16N4O5/c22-19-5-4-16-18(24-19)10-17(23-16)15-7-11(8-20(26)27)6-14(21(15)28)12-2-1-3-13(9-12)25(29)30/h1-7,9-10,23,28H,8H2,(H2,22,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	300	-36.9	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	-36.7	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	-36.2	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50182057 (2-(5'-fluoro-2,2'-dihydroxy-biphenyl-3-yl)-1H-benz...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C20H15FN4O2/c21-11-5-7-17(26)14(9-11)12-2-1-3-13(18(12)27)20-24-15-6-4-10(19(22)23)8-16(15)25-20/h1-9,26-27H,(H3,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of factor7a in Sprague-Dawley rats				Bioorg Med Chem Lett 16: 2224-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.039 BindingDB Entry DOI: 10.7270/Q2TM79Q2
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13788 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-5-{3-...) Show SMILES CN(C)CCNC(=O)NCc1cccc(c1)-c1cc(CC(O)=O)cc(-c2cc3nc(N)ccc3[nH]2)c1O Show InChI InChI=1S/C27H30N6O4/c1-33(2)9-8-29-27(37)30-15-16-4-3-5-18(10-16)19-11-17(13-25(34)35)12-20(26(19)36)22-14-23-21(31-22)6-7-24(28)32-23/h3-7,10-12,14,31,36H,8-9,13,15H2,1-2H3,(H2,28,32)(H,34,35)(H2,29,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	-33.1	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13782 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(-c2ccccc2)c1O Show InChI InChI=1S/C21H17N3O3/c22-19-7-6-16-18(24-19)11-17(23-16)15-9-12(10-20(25)26)8-14(21(15)27)13-4-2-1-3-5-13/h1-9,11,23,27H,10H2,(H2,22,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	-31.8	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13784 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(-c2cccc(O)c2)c1O Show InChI InChI=1S/C21H17N3O4/c22-19-5-4-16-18(24-19)10-17(23-16)15-7-11(8-20(26)27)6-14(21(15)28)12-2-1-3-13(25)9-12/h1-7,9-10,23,25,28H,8H2,(H2,22,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	-31.7	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor X (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	2.70E+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 f10a				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
Prothrombin (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	-31.3	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13781 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H16N4O5/c22-19-5-4-16-18(24-19)10-17(23-16)15-7-11(8-20(26)27)6-14(21(15)28)12-2-1-3-13(9-12)25(29)30/h1-7,9-10,23,28H,8H2,(H2,22,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.50E+3	-30.8	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13783 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(CC(O)=O)cc(-c2cc3nc(N)ccc3[nH]2)c1O Show InChI InChI=1S/C22H19N3O5S/c1-31(29,30)14-4-2-3-13(10-14)15-7-12(9-21(26)27)8-16(22(15)28)18-11-19-17(24-18)5-6-20(23)25-19/h2-8,10-11,24,28H,9H2,1H3,(H2,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	-29.0	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	-28.0	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13779 (2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitr...) Show SMILES OC(=O)Cc1cc(-c2nc3ccccc3[nH]2)c(O)c(c1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H15N3O5/c25-19(26)10-12-8-15(13-4-3-5-14(11-13)24(28)29)20(27)16(9-12)21-22-17-6-1-2-7-18(17)23-21/h1-9,11,27H,10H2,(H,22,23)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	-28.0	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13785 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-5-[3-...) Show SMILES NC(=O)Nc1cccc(c1)-c1cc(CC(O)=O)cc(-c2cc3nc(N)ccc3[nH]2)c1O Show InChI InChI=1S/C22H19N5O4/c23-19-5-4-16-18(27-19)10-17(26-16)15-7-11(8-20(28)29)6-14(21(15)30)12-2-1-3-13(9-12)25-22(24)31/h1-7,9-10,26,30H,8H2,(H2,23,27)(H,28,29)(H3,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	-27.8	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50189940 ((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...) Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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 f10a				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))	BDBM50182056 (3-(1H-benzoimidazol-2-yl)-biphenyl-2,2'-diol | CHE...) Show SMILES Oc1ccccc1-c1cccc(-c2nc3ccccc3[nH]2)c1O Show InChI InChI=1S/C19H14N2O2/c22-17-11-4-1-6-12(17)13-7-5-8-14(18(13)23)19-20-15-9-2-3-10-16(15)21-19/h1-11,22-23H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of factor7a in Sprague-Dawley rats				Bioorg Med Chem Lett 16: 2224-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.039 BindingDB Entry DOI: 10.7270/Q2TM79Q2
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13780 (2-(3-{5-amino-1H-imidazo[4,5-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(nc2n1)-c1cc(CC(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O Show InChI InChI=1S/C20H15N5O5/c21-16-5-4-15-20(23-16)24-19(22-15)14-7-10(8-17(26)27)6-13(18(14)28)11-2-1-3-12(9-11)25(29)30/h1-7,9,28H,8H2,(H,26,27)(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+4	-24.9	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13781 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H16N4O5/c22-19-5-4-16-18(24-19)10-17(23-16)15-7-11(8-20(26)27)6-14(21(15)28)12-2-1-3-13(9-12)25(29)30/h1-7,9-10,23,28H,8H2,(H2,22,24)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.40E+4	-24.6	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50189937 ((S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-...) Show SMILES Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O Show InChI InChI=1S/C29H26N4O3/c30-28-23-16-25(33-24(23)12-13-31-28)22-11-5-10-21(27(22)35)20-9-4-8-19(14-20)17-32-29(36)26(34)15-18-6-2-1-3-7-18/h1-14,16,26,33-35H,15,17H2,(H2,30,31)(H,32,36)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+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 f10a				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
Prothrombin (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.00E+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 thrombin				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
Prothrombin (Homo sapiens (Human))	BDBM50189937 ((S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-...) Show SMILES Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O Show InChI InChI=1S/C29H26N4O3/c30-28-23-16-25(33-24(23)12-13-31-28)22-11-5-10-21(27(22)35)20-9-4-8-19(14-20)17-32-29(36)26(34)15-18-6-2-1-3-7-18/h1-14,16,26,33-35H,15,17H2,(H2,30,31)(H,32,36)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90E+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 thrombin				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
Prothrombin (Homo sapiens (Human))	BDBM50189940 ((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...) Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	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 thrombin				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
Serine protease 1 (Bos taurus (bovine))	BDBM13781 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H16N4O5/c22-19-5-4-16-18(24-19)10-17(23-16)15-7-11(8-20(26)27)6-14(21(15)28)12-2-1-3-13(9-12)25(29)30/h1-7,9-10,23,28H,8H2,(H2,22,24)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+5	-22.2	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13779 (2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitr...) Show SMILES OC(=O)Cc1cc(-c2nc3ccccc3[nH]2)c(O)c(c1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H15N3O5/c25-19(26)10-12-8-15(13-4-3-5-14(11-13)24(28)29)20(27)16(9-12)21-22-17-6-1-2-7-18(17)23-21/h1-9,11,27H,10H2,(H,22,23)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.50E+5	>-21.6	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13780 (2-(3-{5-amino-1H-imidazo[4,5-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(nc2n1)-c1cc(CC(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O Show InChI InChI=1S/C20H15N5O5/c21-16-5-4-15-20(23-16)24-19(22-15)14-7-10(8-17(26)27)6-13(18(14)28)11-2-1-3-12(9-11)25(29)30/h1-7,9,28H,8H2,(H,26,27)(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.50E+5	>-21.6	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Prothrombin (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+5	>-21.6	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM13780 (2-(3-{5-amino-1H-imidazo[4,5-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(nc2n1)-c1cc(CC(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O Show InChI InChI=1S/C20H15N5O5/c21-16-5-4-15-20(23-16)24-19(22-15)14-7-10(8-17(26)27)6-13(18(14)28)11-2-1-3-12(9-11)25(29)30/h1-7,9,28H,8H2,(H,26,27)(H3,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.50E+5	>-21.6	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13780 (2-(3-{5-amino-1H-imidazo[4,5-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(nc2n1)-c1cc(CC(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O Show InChI InChI=1S/C20H15N5O5/c21-16-5-4-15-20(23-16)24-19(22-15)14-7-10(8-17(26)27)6-13(18(14)28)11-2-1-3-12(9-11)25(29)30/h1-7,9,28H,8H2,(H,26,27)(H3,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.50E+5	>-21.6	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM13779 (2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitr...) Show SMILES OC(=O)Cc1cc(-c2nc3ccccc3[nH]2)c(O)c(c1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H15N3O5/c25-19(26)10-12-8-15(13-4-3-5-14(11-13)24(28)29)20(27)16(9-12)21-22-17-6-1-2-7-18(17)23-21/h1-9,11,27H,10H2,(H,22,23)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.50E+5	>-21.6	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13779 (2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitr...) Show SMILES OC(=O)Cc1cc(-c2nc3ccccc3[nH]2)c(O)c(c1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H15N3O5/c25-19(26)10-12-8-15(13-4-3-5-14(11-13)24(28)29)20(27)16(9-12)21-22-17-6-1-2-7-18(17)23-21/h1-9,11,27H,10H2,(H,22,23)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.50E+5	>-21.6	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: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50054042 ((E)-6-(4-Hydroxy-7-methyl-3-oxo-6-vinyl-1,3-dihydr...) Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C=C Show InChI InChI=1S/C18H20O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h4-5,21H,1,6-9H2,2-3H3,(H,19,20)/b10-5+	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	8.51	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human recombinant inosine monophosphate dehydrogenase type II .				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50000871 (CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...) Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19| Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of platelet cAMP phosphodiesterase				J Med Chem 31: 2136-45 (1988) BindingDB Entry DOI: 10.7270/Q2VX0JQQ
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50054021 ((E)-6-(6-Ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...) Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C18H22O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human recombinant inosine monophosphate dehydrogenase type II .				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50054019 ((E)-6-(4-Hydroxy-6,7-dimethyl-3-oxo-1,3-dihydro-is...) Show SMILES C\C(CCC(O)=O)=C/Cc1c(C)c(C)c2COC(=O)c2c1O Show InChI InChI=1S/C17H20O5/c1-9(5-7-14(18)19)4-6-12-10(2)11(3)13-8-22-17(21)15(13)16(12)20/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18.6	n/a	n/a	n/a	n/a	8.0	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	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 PDB Article PubMed	n/a	n/a	24.8	n/a	n/a	n/a	n/a	8.0	n/a
Syntex Research Curated by ChEMBL					Assay Description Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	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 PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	8.0	n/a
Syntex Research Curated by ChEMBL					Assay Description Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50053997 ((E)-6-(3-Chloro-2-hydroxy-6-methoxy-4,5-dimethyl-p...) Show SMILES COc1c(C)c(C)c(Cl)c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C16H21ClO4/c1-9(6-8-13(18)19)5-7-12-15(20)14(17)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+	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	33.5	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human recombinant inosine monophosphate dehydrogenase type II .				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50054004 ((E)-6-(3-Bromo-2-hydroxy-6-methoxy-4,5-dimethyl-ph...) Show SMILES COc1c(C)c(C)c(Br)c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C16H21BrO4/c1-9(6-8-13(18)19)5-7-12-15(20)14(17)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+	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	36.7	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human recombinant inosine monophosphate dehydrogenase type II .				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair

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