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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 = 'BDBM50210667'   
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))
BDBM50210667
PNG
((R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H17F6N5O/c18-16(19,20)11-3-1-10(2-4-11)7-12(24)8-14(29)27-5-6-28-13(9-27)25-26-15(28)17(21,22)23/h1-4,12H,5-9,24H2/t12-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 511n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4 activity


Bioorg Med Chem Lett 17: 3373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.098
BindingDB Entry DOI: 10.7270/Q2W37W04
More data for this
Ligand-Target Pair