Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50177433'   

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))	BDBM50177433 (CHEMBL535160 | N-(4-carbamimidoylbenzyl)-2-(2-hydr...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(C)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1O Show InChI InChI=1S/C24H26N4O5S/c1-15-6-11-21(28-34(31,32)19-5-3-4-18(12-19)33-2)23(30)20(15)13-22(29)27-14-16-7-9-17(10-8-16)24(25)26/h3-12,28,30H,13-14H2,1-2H3,(H3,25,26)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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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