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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 = 'BDBM11712'   
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))
BDBM11712
PNG
((2S)-Cyanopyrrolidine analogue 18p | 3-({2-[(2S)-2...)
Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)Nc1ccccc1 |r|
Show InChI InChI=1S/C16H20N4O2/c17-11-14-7-4-10-20(14)16(22)12-18-9-8-15(21)19-13-5-2-1-3-6-13/h1-3,5-6,14,18H,4,7-10,12H2,(H,19,21)/t14-/m0/s1
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PC cid
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Article
PubMed
n/an/a 298n/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))
BDBM11712
PNG
((2S)-Cyanopyrrolidine analogue 18p | 3-({2-[(2S)-2...)
Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)Nc1ccccc1 |r|
Show InChI InChI=1S/C16H20N4O2/c17-11-14-7-4-10-20(14)16(22)12-18-9-8-15(21)19-13-5-2-1-3-6-13/h1-3,5-6,14,18H,4,7-10,12H2,(H,19,21)/t14-/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 298n/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