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BDBM50242580 CHEMBL488419::N-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]thiophene-2-carboxamide

SMILES: CC(C)(CNC(=O)c1cccs1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N

InChI Key: InChIKey=WCWFECZCZXXZML-RYUDHWBXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50242580   
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))
BDBM50242580
PNG
(CHEMBL488419 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1cccs1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H21FN4O2S/c1-16(2,10-19-15(23)13-4-3-5-24-13)20-8-14(22)21-9-11(17)6-12(21)7-18/h3-5,11-12,20H,6,8-10H2,1-2H3,(H,19,23)/t11-,12-/m0/s1
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Article
PubMed
n/an/a 5.40n/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