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BDBM50187276 (2R,5S)-1-(2-(2-phenylpropan-2-ylamino)acetyl)pyrrolidine-2,5-dicarbonitrile::CHEMBL210259

SMILES: CC(C)(NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N)c1ccccc1

InChI Key: InChIKey=HNYKHFDVHONSNU-GASCZTMLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187276   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50187276
PNG
((2R,5S)-1-(2-(2-phenylpropan-2-ylamino)acetyl)pyrr...)
Show SMILES CC(C)(NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N)c1ccccc1
Show InChI InChI=1S/C17H20N4O/c1-17(2,13-6-4-3-5-7-13)20-12-16(22)21-14(10-18)8-9-15(21)11-19/h3-7,14-15,20H,8-9,12H2,1-2H3/t14-,15+
PDB
MMDB

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Similars

Article
PubMed
n/an/a 261n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair