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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM50485994'   
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))
BDBM50485994
PNG
(CHEMBL2203385)
Show SMILES Cn1ccc2cc(cnc12)-c1nc2ccc(F)nc2o1
Show InChI InChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3
PDB
MMDB

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KEGG

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50485994
PNG
(CHEMBL2203385)
Show SMILES Cn1ccc2cc(cnc12)-c1nc2ccc(F)nc2o1
Show InChI InChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.60n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DMAB from amyloid beta plaque in cortex homogenate isolated from Alzheimer disease patient after 90 mins by scintillation countin...


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