Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50228413'   

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))	BDBM50228413 (CHEMBL238708 | [1-Benzyloxycarbonylamino-2-(4-carb...) Show SMILES NC(=N)c1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 Show InChI InChI=1S/C29H28N3O5P/c30-28(31)24-18-16-22(17-19-24)20-27(32-29(33)35-21-23-10-4-1-5-11-23)38(34,36-25-12-6-2-7-13-25)37-26-14-8-3-9-15-26/h1-19,27H,20-21H2,(H3,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Med Chem 50: 6638-46 (2007) Article DOI: 10.1021/jm700962j BindingDB Entry DOI: 10.7270/Q2MW2J0J
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