Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50324760'   

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))	BDBM50324760 ((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...) Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(C[C@@H]1C(=O)Nc1ccc(Cl)cc1)C(=O)N1CCCC1)-n1ccccc1=O |r| Show InChI InChI=1S/C28H27ClFN5O4/c29-18-6-8-19(9-7-18)31-26(37)21-16-34(28(39)33-12-3-4-13-33)17-22(21)27(38)32-24-11-10-20(15-23(24)30)35-14-2-1-5-25(35)36/h1-2,5-11,14-15,21-22H,3-4,12-13,16-17H2,(H,31,37)(H,32,38)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 20: 5313-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.126 BindingDB Entry DOI: 10.7270/Q2542NSG
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