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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 = 'BDBM12179'   
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))
BDBM12179
PNG
((2S)-1-{[(2S,4S)-4-(2,3-dihydro-1H-isoindol-2-ylca...)
Show SMILES CC1(C)N[C@@H](C[C@@H]1C(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H26N4O2/c1-21(2)17(19(26)24-12-14-6-3-4-7-15(14)13-24)10-18(23-21)20(27)25-9-5-8-16(25)11-22/h3-4,6-7,16-18,23H,5,8-10,12-13H2,1-2H3/t16-,17+,18-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 984n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair