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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 = 'BDBM50344763'   
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))
BDBM50344763
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(C(=O)C1)c1ccccn1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H19F3N4O2/c20-14-10-16(22)15(21)8-12(14)7-13(23)9-18(27)25-5-6-26(19(28)11-25)17-3-1-2-4-24-17/h1-4,8,10,13H,5-7,9,11,23H2/t13-/m1/s1
PDB
MMDB

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PC cid
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n/an/a 311n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair