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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 = 'BDBM50486006'   
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))
BDBM50486006
PNG
(CHEMBL2203384)
Show SMILES Fc1ccc2nc(oc2n1)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C13H7FN4O/c14-10-2-1-9-13(18-10)19-12(17-9)8-5-7-3-4-15-11(7)16-6-8/h1-6H,(H,15,16)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/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