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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50004095'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50004095
PNG
(CHEMBL3236118)
Show SMILES Cc1nnc2ccc(nn12)N1C[C@H](CN)[C@H](CC1=O)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C18H18F2N6O/c1-10-22-23-16-4-5-17(24-26(10)16)25-9-11(8-21)13(7-18(25)27)14-6-12(19)2-3-15(14)20/h2-6,11,13H,7-9,21H2,1H3/t11-,13-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 122n/an/an/an/an/an/a



M.S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 expressed in baculovirus expression system using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysis


Bioorg Med Chem Lett 24: 1918-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.009
BindingDB Entry DOI: 10.7270/Q2G73G7F
More data for this
Ligand-Target Pair