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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 = 'BDBM50242532'   
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))
BDBM50242532
PNG
((2S,4S)-4-Fluoro-1-[N-(3-methoxy-1-adamantyl)-glyc...)
Show SMILES COC12CC3CC(CC(C3)(C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N)C2 |r,TLB:9:4:23:10.8.7,9:8:3.4.5:23,11:8:3:5.6.23,THB:7:8:3:5.6.23,7:6:3:10.9.8|
Show InChI InChI=1S/C18H26FN3O2/c1-24-18-6-12-2-13(7-18)5-17(4-12,11-18)21-9-16(23)22-10-14(19)3-15(22)8-20/h12-15,21H,2-7,9-11H2,1H3/t12?,13?,14-,15-,17?,18?/m0/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair