Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50070826'   

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))	BDBM50070826 (CHEMBL46331 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(F)(F)F Show InChI InChI=1S/C22H22F3N5O4S/c1-14-16(7-10-19(26)28-14)11-27-20(31)12-30-18(22(23,24)25)9-8-17(21(30)32)29-35(33,34)13-15-5-3-2-4-6-15/h2-10,29H,11-13H2,1H3,(H2,26,28)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated to inhibit the thrombin enzyme				Bioorg Med Chem Lett 8: 1719-24 (1999) BindingDB Entry DOI: 10.7270/Q2319V13
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