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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 = 'BDBM50391560'   
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


(Rattus norvegicus (rat))
BDBM50391560
PNG
(CHEMBL2147705)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCC(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r|
Show InChI InChI=1S/C20H27N7OS/c28-20(26-10-11-29-14-26)18-12-17(13-21-18)25-8-6-15(7-9-25)19-22-23-24-27(19)16-4-2-1-3-5-16/h1-5,15,17-18,21H,6-14H2/t17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391560
PNG
(CHEMBL2147705)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCC(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r|
Show InChI InChI=1S/C20H27N7OS/c28-20(26-10-11-29-14-26)18-12-17(13-21-18)25-8-6-15(7-9-25)19-22-23-24-27(19)16-4-2-1-3-5-16/h1-5,15,17-18,21H,6-14H2/t17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair