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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 = 'BDBM11562'   
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))
BDBM11562
PNG
(5-(aminomethyl)-2,6-diphenylpyrimidin-4-amine | Am...)
Show SMILES NCc1c(N)nc(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(21-16(14)19)13-9-5-2-6-10-13/h1-10H,11,18H2,(H2,19,20,21)
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MMDB

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Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Graduate University of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6630-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.093
BindingDB Entry DOI: 10.7270/Q2DN45GR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11562
PNG
(5-(aminomethyl)-2,6-diphenylpyrimidin-4-amine | Am...)
Show SMILES NCc1c(N)nc(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(21-16(14)19)13-9-5-2-6-10-13/h1-10H,11,18H2,(H2,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.20E+4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...


Bioorg Med Chem Lett 14: 1491-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.019
BindingDB Entry DOI: 10.7270/Q22B8W7M
More data for this
Ligand-Target Pair