Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase' and Ligand = 'BDBM50399720'   

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
Prolyl endopeptidase (Sus scrofa)	BDBM50399720 (CHEMBL2178956) Show SMILES O=C(CCCc1ccccc1)N1C[C@@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1-6,10-11,13-14,20,23,25H,7-9,12,15-19H2/t23-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	542	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate				J Med Chem 55: 9856-67 (2012) Article DOI: 10.1021/jm301060g BindingDB Entry DOI: 10.7270/Q2SN0B3S
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