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BDBM50135637 1-{(S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbonyl)-pyrrolidine-1-carbonyl]-pyrrolidin-1-yl}-4-phenyl-butan-1-one::CHEMBL318630

SMILES: O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1

InChI Key: InChIKey=CJWVNHKDAQZJHN-NSOVKSMOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135637   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135637
PNG
(1-{(S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-car...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C31H35N3O5/c35-29(17-7-14-23-10-3-1-4-11-23)33-18-9-16-28(33)31(37)34-19-8-15-27(34)30(36)26-20-25(39-32-26)22-38-21-24-12-5-2-6-13-24/h1-6,10-13,20,27-28H,7-9,14-19,21-22H2/t27-,28-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 0.340n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair