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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM11720'   
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))
BDBM11720
PNG
((2S)-Cyanopyrrolidine analogue 21e | 3-({2-[(2S)-2...)
Show SMILES CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
In vitro inhibition of DPP-4


Bioorg Med Chem Lett 17: 1274-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11720
PNG
((2S)-Cyanopyrrolidine analogue 21e | 3-({2-[(2S)-2...)
Show SMILES CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



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...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair