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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 = 'BDBM50004094'   
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))
BDBM50004094
PNG
(CHEMBL3236117)
Show SMILES Cc1cc2ncc(N3C[C@H](CN)[C@H](CC3=O)c3cc(F)ccc3F)c(C)n2n1 |r|
Show InChI InChI=1S/C20H21F2N5O/c1-11-5-19-24-9-18(12(2)27(19)25-11)26-10-13(8-23)15(7-20(26)28)16-6-14(21)3-4-17(16)22/h3-6,9,13,15H,7-8,10,23H2,1-2H3/t13-,15-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 78n/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