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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein' and Ligand = 'BDBM50172466'   
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
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair