Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50101878'   

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))	BDBM50101878 (3-Benzyl-2-(3-bromo-2-hydroxy-5-methyl-phenyl)-1H-...) Show SMILES Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N Show InChI InChI=1S/C23H20BrN3O/c1-13-9-18(22(28)19(24)10-13)21-17(11-14-5-3-2-4-6-14)16-12-15(23(25)26)7-8-20(16)27-21/h2-10,12,27-28H,11H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin(fIIa) in human plasma				Bioorg Med Chem Lett 11: 1797-800 (2001) BindingDB Entry DOI: 10.7270/Q20K27TW
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