Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50147803'   

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))	BDBM50147803 (CHEMBL105455 | N-Benzyl-2-[2-chloro-5-(2,2-difluor...) Show SMILES FC(F)(CNc1ncc(Cl)n(CC(=O)NCc2ccccc2)c1=O)c1ccccn1 Show InChI InChI=1S/C20H18ClF2N5O2/c21-16-11-26-18(27-13-20(22,23)15-8-4-5-9-24-15)19(30)28(16)12-17(29)25-10-14-6-2-1-3-7-14/h1-9,11H,10,12-13H2,(H,25,29)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory potency against human thrombin				J Med Chem 47: 2995-3008 (2004) Article DOI: 10.1021/jm030303e BindingDB Entry DOI: 10.7270/Q270826B
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