Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 554.6 BDBM31493

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

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 (Homo sapiens (Human))	BDBM31493 (substituted biphenyl derivative, 36ag) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C31H30N4O4S/c1-18(2)17-34-29(36)21-8-12-25(27(16-21)31(38)39)24-11-5-19(14-23-4-3-13-40-23)15-26(24)30(37)35-22-9-6-20(7-10-22)28(32)33/h3-13,15-16,18H,14,17H2,1-2H3,(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	11	n/a	n/a	n/a	n/a	n/a	25
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
Plasminogen (Homo sapiens (Human))	BDBM31493 (substituted biphenyl derivative, 36ag) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C31H30N4O4S/c1-18(2)17-34-29(36)21-8-12-25(27(16-21)31(38)39)24-11-5-19(14-23-4-3-13-40-23)15-26(24)30(37)35-22-9-6-20(7-10-22)28(32)33/h3-13,15-16,18H,14,17H2,1-2H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	913	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description The assay is an amidolytic assay based upon the absorbance of derivatized thiols from the hydrolysis of Z-Lys-SBzl (Bachem) in the presence of 5,5-Di...				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
Serine protease 1 (Bos taurus (bovine))	BDBM31493 (substituted biphenyl derivative, 36ag) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C31H30N4O4S/c1-18(2)17-34-29(36)21-8-12-25(27(16-21)31(38)39)24-11-5-19(14-23-4-3-13-40-23)15-26(24)30(37)35-22-9-6-20(7-10-22)28(32)33/h3-13,15-16,18H,14,17H2,1-2H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description Trypsin assay reactions were performed in a mixture containing trypsin, and test compounds were added at varied concentrations. The reactions were in...				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 X (Homo sapiens (Human))	BDBM31493 (substituted biphenyl derivative, 36ag) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C31H30N4O4S/c1-18(2)17-34-29(36)21-8-12-25(27(16-21)31(38)39)24-11-5-19(14-23-4-3-13-40-23)15-26(24)30(37)35-22-9-6-20(7-10-22)28(32)33/h3-13,15-16,18H,14,17H2,1-2H3,(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	8.15E+3	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...				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
Prothrombin (Homo sapiens (Human))	BDBM31493 (substituted biphenyl derivative, 36ag) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C31H30N4O4S/c1-18(2)17-34-29(36)21-8-12-25(27(16-21)31(38)39)24-11-5-19(14-23-4-3-13-40-23)15-26(24)30(37)35-22-9-6-20(7-10-22)28(32)33/h3-13,15-16,18H,14,17H2,1-2H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.21E+4	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description Thrombin assay reactions were performed in a reaction mixture containing thrombin, and test compounds were added at varied concentrations. The reacti...				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