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BDBM50344768 (R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-1-(4-nitrobenzyl)piperazin-2-one::CHEMBL1779694

SMILES: N[C@@H](CC(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)C(=O)C1)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=AZJJLYUYRBMKND-OAHLLOKOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50344768   
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))
BDBM50344768
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)C(=O)C1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H21F3N4O4/c22-17-10-19(24)18(23)8-14(17)7-15(25)9-20(29)27-6-5-26(21(30)12-27)11-13-1-3-16(4-2-13)28(31)32/h1-4,8,10,15H,5-7,9,11-12,25H2/t15-/m1/s1
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 38.5n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair