Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase' and Ligand = 'BDBM50170686'   

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)	BDBM50170686 ((S)-1-{(S)-1-[3-((S)-2-Cyclohexanecarbonyl-pyrroli...) Show SMILES O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)C1CCCCC1 Show InChI InChI=1S/C29H36N4O4/c30-19-23-12-5-15-31(23)29(37)25-14-7-17-33(25)28(36)22-11-4-10-21(18-22)27(35)32-16-6-13-24(32)26(34)20-8-2-1-3-9-20/h4,10-11,18,20,23-25H,1-3,5-9,12-17H2/t23-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	7.0	n/a
University of Kuopio Curated by ChEMBL					Assay Description In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM Suc-Gly-Pro-7-amido-4-methylcoumarin as substrate (pH 7.0) at 30 deg...				J Med Chem 48: 4772-82 (2005) Article DOI: 10.1021/jm0500020 BindingDB Entry DOI: 10.7270/Q22B8ZT2
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