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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase' and Ligand = 'BDBM50316821'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Prolyl endopeptidase


(Sus scrofa)		BDBM50316821
PNG
(CHEMBL1096175 | N-((S)-3-methyl-1-oxo-1-((S)-2-(pi...)
Show SMILES CC(C)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C28H35N3O4/c1-20(2)25(28(34)31-18-10-15-24(31)27(33)30-16-7-4-8-17-30)29-26(32)21-11-9-14-23(19-21)35-22-12-5-3-6-13-22/h3,5-6,9,11-14,19-20,24-25H,4,7-8,10,15-18H2,1-2H3,(H,29,32)/t24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of pig brain POP

J Med Chem 53: 3423-38 (2010)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair