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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 = 'BDBM50485497'   
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))
BDBM50485497
PNG
(CHEMBL2063874)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(N)c1
Show InChI InChI=1S/C13H13ClN2O2S/c1-9-2-7-13(12(15)8-9)16-19(17,18)11-5-3-10(14)4-6-11/h2-8,16H,15H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 aggregation assessed as reduction in fluorescence after 4 days by thioflavin T-based fluorometry


J Med Chem 55: 3002-10 (2012)


Article DOI: 10.1021/jm201332p
BindingDB Entry DOI: 10.7270/Q29Z97SP
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50485497
PNG
(CHEMBL2063874)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(N)c1
Show InChI InChI=1S/C13H13ClN2O2S/c1-9-2-7-13(12(15)8-9)16-19(17,18)11-5-3-10(14)4-6-11/h2-8,16H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 aggregation assessed as reduction in fluorescence measured immediately post-compound addition by thioflavin T-based fluo...


J Med Chem 55: 3002-10 (2012)


Article DOI: 10.1021/jm201332p
BindingDB Entry DOI: 10.7270/Q29Z97SP
More data for this
Ligand-Target Pair