Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase' and Ligand = 'BDBM50399733'   

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)	BDBM50399733 (CHEMBL2178964) Show SMILES Fc1ccc(-c2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)c(F)c1 |r| Show InChI InChI=1S/C27H29F2N5O2/c28-20-11-12-22(23(29)15-20)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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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