Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50093141'   

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))	BDBM50093141 (CHEMBL306537 | Pentanedioic acid 4-aminomethyl-ben...) Show SMILES NCc1ccc(CNC(=O)CCCC(=O)NCc2ccc(CNC(=O)CCCC(=O)NCc3ccc(CN)cc3)cc2)cc1 Show InChI InChI=1S/C34H44N6O4/c35-19-25-7-11-27(12-8-25)21-37-31(41)3-1-5-33(43)39-23-29-15-17-30(18-16-29)24-40-34(44)6-2-4-32(42)38-22-28-13-9-26(20-36)10-14-28/h7-18H,1-6,19-24,35-36H2,(H,37,41)(H,38,42)(H,39,43)(H,40,44)	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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