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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 = 'BDBM50309454'   
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))
BDBM50309454
PNG
((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)
Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCCCC1=O
Show InChI InChI=1S/C20H29N3O3/c1-25-18-9-13-6-8-22-12-17(23-7-4-3-5-20(23)24)15(21)11-16(22)14(13)10-19(18)26-2/h9-10,15-17H,3-8,11-12,21H2,1-2H3
PDB
MMDB

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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 20: 1109-13 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8
More data for this
Ligand-Target Pair