Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM31474'   

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 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.97E+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
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