Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50093139'   

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))	BDBM50093139 (CHEMBL310289 | [(R)-1-(4-Aminomethyl-benzylcarbamo...) Show SMILES C[C@@H](NC(=O)OCc1ccc(COC(=O)N[C@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1 Show InChI InChI=1S/C32H40N6O6/c1-21(29(39)35-17-25-7-3-23(15-33)4-8-25)37-31(41)43-19-27-11-13-28(14-12-27)20-44-32(42)38-22(2)30(40)36-18-26-9-5-24(16-34)6-10-26/h3-14,21-22H,15-20,33-34H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)/t21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory potency against thrombin				Bioorg Med Chem Lett 10: 2357-60 (2001) BindingDB Entry DOI: 10.7270/Q2NP23NX
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