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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 = 'BDBM50305469'   
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))
BDBM50305469
PNG
(CHEMBL590830 | N-(3-(2-amino-4-cyclohexyl-1-methyl...)
Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1 |c:3|
Show InChI InChI=1S/C22H26N4O3/c1-14-11-12-29-18(14)19(27)24-17-10-6-9-16(13-17)22(15-7-4-3-5-8-15)20(28)26(2)21(23)25-22/h6,9-13,15H,3-5,7-8H2,1-2H3,(H2,23,25)(H,24,27)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 180n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair