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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 = 'BDBM50420657'   
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))
BDBM50420657
PNG
(CHEMBL2086613)
Show SMILES O=C(CCCNC(=O)c1ccc(cc1)C#N)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H18N4O2/c18-11-13-5-7-14(8-6-13)17(23)20-9-1-4-16(22)21-10-2-3-15(21)12-19/h5-8,15H,1-4,9-10H2,(H,20,23)/t15-/m0/s1
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PC cid
PC sid
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Similars

n/an/a 2.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50420657
PNG
(CHEMBL2086613)
Show SMILES O=C(CCCNC(=O)c1ccc(cc1)C#N)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H18N4O2/c18-11-13-5-7-14(8-6-13)17(23)20-9-1-4-16(22)21-10-2-3-15(21)12-19/h5-8,15H,1-4,9-10H2,(H,20,23)/t15-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pro-AMC substrate incubated or 30 mins by fluorescence based assay


Bioorg Med Chem Lett 22: 3516-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.078
BindingDB Entry DOI: 10.7270/Q2QZ2C77
More data for this
Ligand-Target Pair