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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 = 'BDBM11469'   
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))
BDBM11469
PNG
((2S,3S)-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluo...)
Show SMILES C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1F |r|
Show InChI InChI=1S/C14H17ClF2N2O/c1-8(11-3-2-9(15)6-12(11)17)13(18)14(20)19-5-4-10(16)7-19/h2-3,6,8,10,13H,4-5,7,18H2,1H3/p+1/t8-,10-,13-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 480n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 15: 2533-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2K935SH
More data for this
Ligand-Target Pair