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BDBM50265080 (S)-1-(2-amino-4-(isoindolin-2-yl)-4-oxobut-2-enoyl)pyrrolidine-2-carbonitrile::CHEMBL527015

SMILES: N=C(CC(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=CKZNOACYPWTRSS-AWEZNQCLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265080   
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))
BDBM50265080
PNG
((S)-1-(2-amino-4-(isoindolin-2-yl)-4-oxobut-2-enoy...)
Show SMILES N=C(CC(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H18N4O2/c18-9-14-6-3-7-21(14)17(23)15(19)8-16(22)20-10-12-4-1-2-5-13(12)11-20/h1-2,4-5,14,19H,3,6-8,10-11H2/t14-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in baculovirus system


Eur J Med Chem 43: 1603-11 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.014
BindingDB Entry DOI: 10.7270/Q2V69JCD
More data for this
Ligand-Target Pair