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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 = 'BDBM50338430'   
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))
BDBM50338430
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(6-fluoropyridin-3...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ccc(F)nc1 |r|
Show InChI InChI=1S/C18H20F3N3/c19-14-1-3-16(20)13(9-14)10-17(22)12-5-7-24(8-6-12)15-2-4-18(21)23-11-15/h1-4,9,11-12,17H,5-8,10,22H2/t17-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 110n/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