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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein' and Ligand = 'BDBM50020865'   
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
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50020865
PNG
(CHEMBL3286988)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(Cl)c2)cc(OC)c1O
Show InChI InChI=1S/C20H15ClN2O4S/c1-26-15-6-11(7-16(27-2)18(15)24)8-17-19(25)23-10-14(22-20(23)28-17)12-4-3-5-13(21)9-12/h3-10,24H,1-2H3/b17-8-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)


Article DOI: 10.1021/ml500147n
BindingDB Entry DOI: 10.7270/Q2ZW1NGS
More data for this
Ligand-Target Pair