Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50253779'   

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))	BDBM50253779 (3-[2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-3,4...) Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)NCCC(O)=O Show InChI InChI=1S/C21H22N4O6/c1-25-15-7-6-14(19(28)24-9-8-17(26)27)10-16(15)31-21(20(25)29)30-11-12-2-4-13(5-3-12)18(22)23/h2-7,10,21H,8-9,11H2,1H3,(H3,22,23)(H,24,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
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