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BDBM50038898 (S)-1-((S)-1-(2-(2,3-dihydro-1H-inden-2-yl)acetyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carbaldehyde::(S)-1-[(S)-1-(2-Indan-2-yl-acetyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbaldehyde::CHEMBL302654

SMILES: O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1

InChI Key: InChIKey=VAGWIGXOAMJJED-OALUTQOASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50038898   
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))
BDBM50038898
PNG
((S)-1-((S)-1-(2-(2,3-dihydro-1H-inden-2-yl)acetyl)...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C21H26N2O3/c24-14-18-7-3-9-22(18)21(26)19-8-4-10-23(19)20(25)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,14-15,18-19H,3-4,7-13H2/t18-,19-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.420n/an/an/an/an/an/a



Zeria Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.


J Med Chem 37: 2071-8 (1994)


BindingDB Entry DOI: 10.7270/Q270822J
More data for this
Ligand-Target Pair