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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 = 'BDBM50309458'   
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))
BDBM50309458
PNG
((SR, SR, SR)-9,10-Dimethoxy-3-(1-oxo-1lambda*4*-is...)
Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCCS1(=O)=O
Show InChI InChI=1S/C18H27N3O4S/c1-24-17-8-12-4-6-20-11-16(21-5-3-7-26(21,22)23)14(19)10-15(20)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,19H2,1-2H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.33E+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 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