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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 = 'BDBM50296778'   
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))
BDBM50296778
PNG
((R)-3-amino-1-((S)-2-((5-fluoropyridin-2-ylamino)m...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(F)cn1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H22F4N4O/c21-13-3-4-19(26-10-13)27-11-15-2-1-5-28(15)20(29)8-14(25)6-12-7-17(23)18(24)9-16(12)22/h3-4,7,9-10,14-15H,1-2,5-6,8,11,25H2,(H,26,27)/t14-,15+/m1/s1
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MMDB

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Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair