Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50107060'   

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 (Rattus norvegicus)	BDBM50107060 ((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C23H27N5O4S/c24-22(25)18-8-6-16(7-9-18)12-26-23(30)20-11-10-19-13-27(14-21(29)28(19)20)33(31,32)15-17-4-2-1-3-5-17/h1-9,19-20H,10-15H2,(H3,24,25)(H,26,30)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
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