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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50209935'   
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))
BDBM50209935
PNG
((3S,4R)-3-butyl-1-(4-phenoxyphenyl)piperidin-4-ami...)
Show SMILES CCCC[C@H]1CN(CC[C@H]1N)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H28N2O/c1-2-3-7-17-16-23(15-14-21(17)22)18-10-12-20(13-11-18)24-19-8-5-4-6-9-19/h4-6,8-13,17,21H,2-3,7,14-16,22H2,1H3/t17-,21+/m0/s1
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MMDB

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Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 2966-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP
More data for this
Ligand-Target Pair