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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 = 'BDBM50243411'   
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))
BDBM50243411
PNG
((S)-4-amino-5-oxo-5-(pyrrolidin-1-yl)pentanoic aci...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C9H16N2O3/c10-7(3-4-8(12)13)9(14)11-5-1-2-6-11/h7H,1-6,10H2,(H,12,13)/t7-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)


Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50243411
PNG
((S)-4-amino-5-oxo-5-(pyrrolidin-1-yl)pentanoic aci...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C9H16N2O3/c10-7(3-4-8(12)13)9(14)11-5-1-2-6-11/h7H,1-6,10H2,(H,12,13)/t7-/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>1.00E+6n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair