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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 = 'BDBM50332232'   
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))
BDBM50332232
PNG
((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...)
Show SMILES Cc1ccc(F)cc1Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r|
Show InChI InChI=1S/C22H28FN5O2/c1-14-6-7-16(23)10-15(14)12-28-18(27-9-5-8-22(2,24)13-27)11-17-19(28)20(29)26(4)21(30)25(17)3/h6-7,10-11H,5,8-9,12-13,24H2,1-4H3/t22-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 20: 7246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.101
BindingDB Entry DOI: 10.7270/Q2BK1CMK
More data for this
Ligand-Target Pair