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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM50477455'   
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
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477455
PNG
(CHEMBL247929)
Show SMILES COc1cc(\C=C\c2cc(Br)cc(\C=C\c3ccc(N)c(OC)c3)n2)ccc1N
Show InChI InChI=1S/C23H22BrN3O2/c1-28-22-11-15(5-9-20(22)25)3-7-18-13-17(24)14-19(27-18)8-4-16-6-10-21(26)23(12-16)29-2/h3-14H,25-26H2,1-2H3/b7-3+,8-4+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair