Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50235537'   

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))	BDBM50235537 (CHEMBL559370 | N-(4-carbamimidoylbenzyl)-2-(1-(4-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C23H25N5O5S/c1-15-11-12-28(27-34(31,32)19-9-7-18(33-2)8-10-19)23(30)20(15)13-21(29)26-14-16-3-5-17(6-4-16)22(24)25/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+3	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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