Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50400807'   

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))	BDBM50400807 (CHEMBL2204324) Show SMILES Clc1ccc2OCCNCCCNC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O |r| Show InChI InChI=1S/C27H32Cl2N6O3/c28-21-7-8-23-20(14-21)15-32-25(36)18-35-24(29)17-33-26(27(35)37)34-22(13-19-5-2-1-3-6-19)16-31-10-4-9-30-11-12-38-23/h1-3,5-8,14,17,22,30-31H,4,9-13,15-16,18H2,(H,32,36)(H,33,34)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
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