Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50394316'   

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))	BDBM50394316 (CHEMBL2159371) Show SMILES COc1cccc(CNS(=O)(=O)c2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C15H17N3O3S/c1-21-13-4-2-3-11(9-13)10-18-22(19,20)14-7-5-12(6-8-14)15(16)17/h2-9,18H,10H2,1H3,(H3,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human thrombin using fluorogenic Cbz-Gly-Gly-Arg-NH-Mec as substrate measured over 400 secs by spectrophotometry				Bioorg Med Chem 20: 6489-505 (2012) Article DOI: 10.1016/j.bmc.2012.08.042 BindingDB Entry DOI: 10.7270/Q2SB46VD
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