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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 = 'BDBM11072'   
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))
BDBM11072
PNG
(2-cyanopyrrolidine 25 | N-{[(2R,5S)-5-{[(2S)-2-cya...)
Show SMILES O=C([C@@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)N1)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H22N4O3S/c18-11-14-5-4-10-21(14)17(22)16-9-8-13(20-16)12-19-25(23,24)15-6-2-1-3-7-15/h1-3,6-7,13-14,16,19-20H,4-5,8-10,12H2/t13-,14+,16+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...


J Med Chem 49: 3520-35 (2006)


Article DOI: 10.1021/jm051283e
BindingDB Entry DOI: 10.7270/Q2WS8RG1
More data for this
Ligand-Target Pair