Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50235534'   

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))	BDBM50235534 (CHEMBL535860 | N-(4-carbamimidoylbenzyl)-2-(1-(4-c...) Show SMILES COc1cc(Cl)ccc1S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C23H24ClN5O5S/c1-14-9-10-29(28-35(32,33)20-8-7-17(24)11-19(20)34-2)23(31)18(14)12-21(30)27-13-15-3-5-16(6-4-15)22(25)26/h3-11,28H,12-13H2,1-2H3,(H3,25,26)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	307	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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