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BDBM50335754 2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3,3-dimethylbut-1-ynyl)-6-oxo-6H-pyrimidin-1-ylmethyl]benzonitrile::CHEMBL1650425

SMILES: CC(C)(C)C#Cc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O

InChI Key: InChIKey=BDMZTRWFJBAKDL-HXUWFJFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50335754   
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))
BDBM50335754
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3,3-dimethylbu...)
Show SMILES CC(C)(C)C#Cc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C23H27N5O/c1-23(2,3)11-10-18-14-26-22(27-12-6-9-20(25)16-27)28(21(18)29)15-19-8-5-4-7-17(19)13-24/h4-5,7-8,14,20H,6,9,12,15-16,25H2,1-3H3/t20-/m1/s1
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Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair