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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 = 'BDBM15514'   
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))
BDBM15514
PNG
((4R,5R)-5-amino-1-(3-(methylsulfonyl)phenethyl)-4-...)
Show SMILES CS(=O)(=O)c1cccc(CCN2C[C@H](N)[C@H](CC2=O)c2cc(F)c(F)cc2F)c1 |r|
Show InChI InChI=1S/C20H21F3N2O3S/c1-29(27,28)13-4-2-3-12(7-13)5-6-25-11-19(24)15(9-20(25)26)14-8-17(22)18(23)10-16(14)21/h2-4,7-8,10,15,19H,5-6,9,11,24H2,1H3/t15-,19+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
4 -47.5n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 50: 1983-7 (2007)


Article DOI: 10.1021/jm061436d
BindingDB Entry DOI: 10.7270/Q2VQ30XV
More data for this
Ligand-Target Pair