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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 = 'BDBM50338429'   
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))
BDBM50338429
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2,6-dimethylpyrid...)
Show SMILES Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1 |r|
Show InChI InChI=1S/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/t19-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair