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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 = 'BDBM50485995'   
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))
BDBM50485995
PNG
(CHEMBL2203381)
Show SMILES CN(C)c1ccc(cn1)-c1nc2ccc(F)nc2o1
Show InChI InChI=1S/C13H11FN4O/c1-18(2)11-6-3-8(7-15-11)12-16-9-4-5-10(14)17-13(9)19-12/h3-7H,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta plaque


ACS Med Chem Lett 2: 498-502 (2011)


Article DOI: 10.1021/ml200018n
BindingDB Entry DOI: 10.7270/Q2TB19RG
More data for this
Ligand-Target Pair