Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50177417'   

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))	BDBM50177417 (2-(3-(3-chlorophenylsulfonamido)-2-hydroxy-6-methy...) Show SMILES Cc1ccnc(CNC(=O)Cc2c(C)ccc(NS(=O)(=O)c3cccc(Cl)c3)c2O)c1F Show InChI InChI=1S/C22H21ClFN3O4S/c1-13-6-7-18(27-32(30,31)16-5-3-4-15(23)10-16)22(29)17(13)11-20(28)26-12-19-21(24)14(2)8-9-25-19/h3-10,27,29H,11-12H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 16: 1032-6 (2006) Article DOI: 10.1016/j.bmcl.2005.10.082 BindingDB Entry DOI: 10.7270/Q2V125K5
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