Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50131478'   

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))	BDBM50131478 ((S)-18-Benzyl-8,23-dichloro-12-oxa-1,4,16,19,21-pe...) Show SMILES Clc1ccc2OCCCNC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O Show InChI InChI=1S/C25H27Cl2N5O3/c26-19-7-8-21-18(12-19)13-29-23(33)16-32-22(27)15-30-24(25(32)34)31-20(14-28-9-4-10-35-21)11-17-5-2-1-3-6-17/h1-3,5-8,12,15,20,28H,4,9-11,13-14,16H2,(H,29,33)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against thrombin IIa				Bioorg Med Chem Lett 13: 2781-4 (2003) BindingDB Entry DOI: 10.7270/Q2GF0V2P
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