Compile Data Set for Download or QSAR

Found 22926 hits Enz. Inhib. hit(s) with Target = 'Thrombin'   

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
Prothrombin (Bos taurus (Bovine))	BDBM50009926 (CHEMBL3250026) Show SMILES [Br-].NC(=[NH2+])SCc1ccc(CS(=O)(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H15N3O5S2.BrH/c16-15(17)24-9-11-1-3-12(4-2-11)10-25(21,22)23-14-7-5-13(6-8-14)18(19)20;/h1-8H,9-10H2,(H3,16,17);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of 16 X 10'-7 M bovine thrombin using Z-Lys-nitrophenyl ester as substrate incubated up to 1 hr at pH 6				J Med Chem 21: 456-9 (1978) BindingDB Entry DOI: 10.7270/Q2736SFF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12868 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2NCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C30H26F3N7O3/c31-30(32,33)27-25-26(40(36-27)20-9-10-24-23(13-20)28(34)37-43-24)29(42)39(16-35-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)14-38-12-11-21(41)15-38/h1-10,13,21,35,41H,11-12,14-16H2,(H2,34,37)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	130	-38.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12864 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F Show InChI InChI=1S/C29H24F3N7O2/c1-16-34-24-25(39(35-26(24)29(30,31)32)20-12-13-23-22(14-20)27(33)36-41-23)28(40)38(16)19-10-8-17(9-11-19)21-7-5-4-6-18(21)15-37(2)3/h4-14H,15H2,1-3H3,(H2,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	-38.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12861 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)c2=O |r| Show InChI InChI=1S/C31H29N7O3/c1-18-28-29(38(34-18)23-11-12-27-26(15-23)30(32)35-41-27)31(40)37(19(2)33-28)22-9-7-20(8-10-22)25-6-4-3-5-21(25)16-36-14-13-24(39)17-36/h3-12,15,24,39H,13-14,16-17H2,1-2H3,(H2,32,35)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	245	-37.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12751 (1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...				J Med Chem 46: 4405-18 (2003) Article DOI: 10.1021/jm020578e BindingDB Entry DOI: 10.7270/Q2TT4P78
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12860 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O Show InChI InChI=1S/C29H27N7O2/c1-17-26-27(36(32-17)22-13-14-25-24(15-22)28(30)33-38-25)29(37)35(18(2)31-26)21-11-9-19(10-12-21)23-8-6-5-7-20(23)16-34(3)4/h5-15H,16H2,1-4H3,(H2,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	305	-36.8	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12676 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	540	-35.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM18982 (1-(1-aminoisoquinolin-7-yl)-3-methyl-N-[4-(2-sulfa...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccnc(N)c2c1 Show InChI InChI=1S/C26H22N6O3S/c1-16-14-23(32(31-16)20-11-8-18-12-13-29-25(27)22(18)15-20)26(33)30-19-9-6-17(7-10-19)21-4-2-3-5-24(21)36(28,34)35/h2-15H,1H3,(H2,27,29)(H,30,33)(H2,28,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	-29.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...				J Med Chem 46: 4405-18 (2003) Article DOI: 10.1021/jm020578e BindingDB Entry DOI: 10.7270/Q2TT4P78
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM12676 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.50E+4	>-27.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113296 (US9695194, 13) Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1 Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	1.80E+3	-34.1	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113297 (US9695194, 14) Show SMILES CS(=O)(=O)c1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1 Show InChI InChI=1S/C17H13NO6S/c1-25(20,21)15-5-3-2-4-10(15)16-18-12-9-14-13(22-6-7-23-14)8-11(12)17(19)24-16/h2-5,8-9H,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	1.80E+3	-34.1	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113299 (US9695194, 15) Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70E+3	-32.3	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113300 (US9695194, 16) Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1 Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	3.70E+3	-32.3	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289001 (2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...) Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113283 (US9695194, 8) Show SMILES COc1ccc(c(OC)c1)-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C19H17NO6/c1-22-11-4-5-12(15(8-11)23-2)18-20-14-10-17-16(24-6-3-7-25-17)9-13(14)19(21)26-18/h4-5,8-10H,3,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113248 (US9695194, 7) Show SMILES Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C17H12ClNO4/c18-12-5-2-1-4-10(12)16-19-13-9-15-14(21-6-3-7-22-15)8-11(13)17(20)23-16/h1-2,4-5,8-9H,3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113119 (US9695194, 6) Show SMILES COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C18H15NO5/c1-21-14-6-3-2-5-11(14)17-19-13-10-16-15(22-7-4-8-23-16)9-12(13)18(20)24-17/h2-3,5-6,9-10H,4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113068 (US9695194, 4) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C18H17NO6S/c1-4-24-15-9-12-13(10-14(15)23-2)19-17(25-18(12)20)11-7-5-6-8-16(11)26(3,21)22/h5-10H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113067 (US9695194, 3) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccc(OC)cc1OC Show InChI InChI=1S/C19H19NO6/c1-5-25-17-9-13-14(10-16(17)24-4)20-18(26-19(13)21)12-7-6-11(22-2)8-15(12)23-3/h6-10H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113065 (US9695194, 2) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113060 (US9695194, 1) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1SC Show InChI InChI=1S/C18H17NO4S/c1-4-22-15-9-12-13(10-14(15)21-2)19-17(23-18(12)20)11-7-5-6-8-16(11)24-3/h5-10H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113293 (US9695194, 10) Show SMILES CS(=O)(=O)c1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C18H15NO6S/c1-26(21,22)16-6-3-2-5-11(16)17-19-13-10-15-14(23-7-4-8-24-15)9-12(13)18(20)25-17/h2-3,5-6,9-10H,4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113294 (US9695194, 11) Show SMILES CC(C)c1ccc(-c2nc3cc4OCCCOc4cc3c(=O)o2)c(c1)C(C)C Show InChI InChI=1S/C23H25NO4/c1-13(2)15-6-7-16(17(10-15)14(3)4)22-24-19-12-21-20(26-8-5-9-27-21)11-18(19)23(25)28-22/h6-7,10-14H,5,8-9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113295 (US9695194, 12) Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113301 (US9695194, 17) Show SMILES COc1ccc(c(OC)c1)-c1nc2cc(OC)c(OC)cc2c(=O)o1 Show InChI InChI=1S/C18H17NO6/c1-21-10-5-6-11(14(7-10)22-2)17-19-13-9-16(24-4)15(23-3)8-12(13)18(20)25-17/h5-9H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM113292 (US9695194, 9) Show SMILES CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C18H15NO4S/c1-24-16-6-3-2-5-11(16)17-19-13-10-15-14(21-7-4-8-22-15)9-12(13)18(20)23-17/h2-3,5-6,9-10H,4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31478 (substituted biphenyl derivative, 36r) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#CC(C)(C)O Show InChI InChI=1S/C31H32N4O5/c1-18(2)17-34-28(36)21-8-12-24(26(16-21)30(38)39)23-11-5-19(13-14-31(3,4)40)15-25(23)29(37)35-22-9-6-20(7-10-22)27(32)33/h5-12,15-16,18,40H,17H2,1-4H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	926	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31479 (substituted biphenyl derivative, 36s) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(O)CO Show InChI InChI=1S/C28H30N4O6/c1-15(2)13-31-26(35)18-6-10-21(23(12-18)28(37)38)20-9-5-17(24(34)14-33)11-22(20)27(36)32-19-7-3-16(4-8-19)25(29)30/h3-12,15,24,33-34H,13-14H2,1-2H3,(H3,29,30)(H,31,35)(H,32,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31480 (substituted biphenyl derivative, 36t) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CN=[N+]=[N-])cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H27N7O4/c1-15(2)13-31-25(35)18-6-10-21(23(12-18)27(37)38)20-9-3-16(14-32-34-30)11-22(20)26(36)33-19-7-4-17(5-8-19)24(28)29/h3-12,15H,13-14H2,1-2H3,(H3,28,29)(H,31,35)(H,33,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31481 (substituted biphenyl derivative, 36u) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CN)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H29N5O4/c1-15(2)14-31-25(33)18-6-10-21(23(12-18)27(35)36)20-9-3-16(13-28)11-22(20)26(34)32-19-7-4-17(5-8-19)24(29)30/h3-12,15H,13-14,28H2,1-2H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31482 (substituted biphenyl derivative, 36v) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C32H30N4O4/c1-19(2)18-35-30(37)23-11-15-26(28(17-23)32(39)40)25-14-10-22(20-6-4-3-5-7-20)16-27(25)31(38)36-24-12-8-21(9-13-24)29(33)34/h3-17,19H,18H2,1-2H3,(H3,33,34)(H,35,37)(H,36,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31483 (substituted biphenyl derivative, 36w) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2ccccc2)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C33H32N4O4/c1-20(2)19-36-31(38)24-11-15-27(29(18-24)33(40)41)26-14-8-22(16-21-6-4-3-5-7-21)17-28(26)32(39)37-25-12-9-23(10-13-25)30(34)35/h3-15,17-18,20H,16,19H2,1-2H3,(H3,34,35)(H,36,38)(H,37,39)(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31484 (substituted biphenyl derivative, 36x) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccncc1 Show InChI InChI=1S/C31H29N5O4/c1-18(2)17-35-29(37)22-6-10-25(27(16-22)31(39)40)24-9-5-21(19-11-13-34-14-12-19)15-26(24)30(38)36-23-7-3-20(4-8-23)28(32)33/h3-16,18H,17H2,1-2H3,(H3,32,33)(H,35,37)(H,36,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31485 (substituted biphenyl derivative, 36y) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccnc1 Show InChI InChI=1S/C31H29N5O4/c1-18(2)16-35-29(37)21-8-12-25(27(15-21)31(39)40)24-11-7-20(22-4-3-13-34-17-22)14-26(24)30(38)36-23-9-5-19(6-10-23)28(32)33/h3-15,17-18H,16H2,1-2H3,(H3,32,33)(H,35,37)(H,36,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	546	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31486 (substituted biphenyl derivative, 36z) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccs1 Show InChI InChI=1S/C30H28N4O4S/c1-17(2)16-33-28(35)20-8-12-23(25(15-20)30(37)38)22-11-7-19(26-4-3-13-39-26)14-24(22)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31487 (substituted biphenyl derivative, 36aa) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1 Show InChI InChI=1S/C30H28N4O4S/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31488 (substituted biphenyl derivative, 36ab) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccco1 Show InChI InChI=1S/C30H28N4O5/c1-17(2)16-33-28(35)20-8-12-23(25(15-20)30(37)38)22-11-7-19(26-4-3-13-39-26)14-24(22)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31477 (substituted biphenyl derivative, 36q) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#CCCO Show InChI InChI=1S/C30H30N4O5/c1-18(2)17-33-28(36)21-9-13-24(26(16-21)30(38)39)23-12-6-19(5-3-4-14-35)15-25(23)29(37)34-22-10-7-20(8-11-22)27(31)32/h6-13,15-16,18,35H,4,14,17H2,1-2H3,(H3,31,32)(H,33,36)(H,34,37)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31476 (substituted biphenyl derivative, 36p) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#CCO Show InChI InChI=1S/C29H28N4O5/c1-17(2)16-32-27(35)20-8-12-23(25(15-20)29(37)38)22-11-5-18(4-3-13-34)14-24(22)28(36)33-21-9-6-19(7-10-21)26(30)31/h5-12,14-15,17,34H,13,16H2,1-2H3,(H3,30,31)(H,32,35)(H,33,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31475 (substituted biphenyl derivative, 36o) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CCO Show InChI InChI=1S/C30H32N4O5/c1-17(2)16-33-28(36)21-7-11-24(26(15-21)30(38)39)23-10-6-20(18(3)12-13-35)14-25(23)29(37)34-22-8-4-19(5-9-22)27(31)32/h4-11,14-15,17,35H,3,12-13,16H2,1-2H3,(H3,31,32)(H,33,36)(H,34,37)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31474 (substituted biphenyl derivative, 36n) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CO Show InChI InChI=1S/C29H30N4O5/c1-16(2)14-32-27(35)20-7-11-23(25(13-20)29(37)38)22-10-6-19(17(3)15-34)12-24(22)28(36)33-21-8-4-18(5-9-21)26(30)31/h4-13,16,34H,3,14-15H2,1-2H3,(H3,30,31)(H,32,35)(H,33,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31473 (substituted biphenyl derivative, 36m) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(\C=C/CO)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C29H30N4O5/c1-17(2)16-32-27(35)20-8-12-23(25(15-20)29(37)38)22-11-5-18(4-3-13-34)14-24(22)28(36)33-21-9-6-19(7-10-21)26(30)31/h3-12,14-15,17,34H,13,16H2,1-2H3,(H3,30,31)(H,32,35)(H,33,36)(H,37,38)/b4-3-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31472 (substituted biphenyl derivative, 36l) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(\C=C/C(C)=C)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C31H32N4O4/c1-18(2)5-6-20-7-13-24(26(15-20)30(37)35-23-11-8-21(9-12-23)28(32)33)25-14-10-22(16-27(25)31(38)39)29(36)34-17-19(3)4/h5-16,19H,1,17H2,2-4H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)/b6-5-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31471 (substituted biphenyl derivative, 36k) Show SMILES [#6]-[#6](-[#6])-[#6]-[#7]-[#6](=O)-c1ccc(c(c1)-[#6](-[#8])=O)-c1ccc(-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C31H34N4O4/c1-18(2)5-6-20-7-13-24(26(15-20)30(37)35-23-11-8-21(9-12-23)28(32)33)25-14-10-22(16-27(25)31(38)39)29(36)34-17-19(3)4/h5,7-16,19H,6,17H2,1-4H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31470 (substituted biphenyl derivative, 36j) Show SMILES C\C=C/Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C Show InChI InChI=1S/C30H32N4O4/c1-4-5-6-19-7-13-23(25(15-19)29(36)34-22-11-8-20(9-12-22)27(31)32)24-14-10-21(16-26(24)30(37)38)28(35)33-17-18(2)3/h4-5,7-16,18H,6,17H2,1-3H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)/b5-4-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31469 (substituted biphenyl derivative, 36i) Show SMILES CC#Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C Show InChI InChI=1S/C29H28N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h6-15,17H,16H2,1-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31468 (substituted biphenyl derivative, 36h) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(C=C=C)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C29H28N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h5-15,17H,1,16H2,2-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31467 (substituted biphenyl derivative, 36g) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(C)=C Show InChI InChI=1S/C29H30N4O4/c1-16(2)15-32-27(34)20-8-12-23(25(14-20)29(36)37)22-11-7-19(17(3)4)13-24(22)28(35)33-21-9-5-18(6-10-21)26(30)31/h5-14,16H,3,15H2,1-2,4H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM31466 (substituted biphenyl derivative, 36f) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C Show InChI InChI=1S/C28H26N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h1,5-14,16H,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 22926 total )  |  Next  |  Last  >>

Jump to: