Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50235539'   

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))	BDBM50235539 (CHEMBL537893 | N-((6-aminopyridin-3-yl)methyl)-2-(...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(N)nc2)c1=O Show InChI InChI=1S/C22H25N5O6S/c1-14-8-9-27(26-34(30,31)19-6-5-16(32-2)10-18(19)33-3)22(29)17(14)11-21(28)25-13-15-4-7-20(23)24-12-15/h4-10,12,26H,11,13H2,1-3H3,(H2,23,24)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 18: 1972-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.122 BindingDB Entry DOI: 10.7270/Q2833SV0
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