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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 = 'BDBM50302972'   
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))
BDBM50302972
PNG
((R)-3-amino-1-((S)-2-(5-(3-methyloxetan-3-yl)-1,2,...)
Show SMILES CC1(COC1)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H23F3N4O3/c1-20(9-29-10-20)19-25-18(26-30-19)16-3-2-4-27(16)17(28)7-12(24)5-11-6-14(22)15(23)8-13(11)21/h6,8,12,16H,2-5,7,9-10,24H2,1H3/t12-,16+/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair