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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 = 'BDBM50209946'   
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))
BDBM50209946
PNG
(3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piper...)
Show SMILES CCCCC1CN(CCC1N)c1cccc2CCCCc12 |w:9.10,4.3|
Show InChI InChI=1S/C19H30N2/c1-2-3-7-16-14-21(13-12-18(16)20)19-11-6-9-15-8-4-5-10-17(15)19/h6,9,11,16,18H,2-5,7-8,10,12-14,20H2,1H3
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a 1.36E+4n/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