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BDBM50242476 CHEMBL471088::N-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-N-(4-cyanobenzyl)benzamide

SMILES: CC(C)(CN(Cc1ccc(cc1)C#N)C(=O)c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N

InChI Key: InChIKey=GZBYUTVYJCEJQS-GOTSBHOMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50242476   
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))
BDBM50242476
PNG
(CHEMBL471088 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CN(Cc1ccc(cc1)C#N)C(=O)c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C26H28FN5O2/c1-26(2,30-15-24(33)32-17-22(27)12-23(32)14-29)18-31(25(34)21-6-4-3-5-7-21)16-20-10-8-19(13-28)9-11-20/h3-11,22-23,30H,12,15-18H2,1-2H3/t22-,23-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair