BindingDB logo
myBDB logout

BDBM50022088 CHEMBL3297746

SMILES: COc1c(oc2c(O)c(O)ccc2c1=O)-c1ccc(O)c(O)c1

InChI Key: InChIKey=WGIWCQHSJILTOY-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022088   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50022088
PNG
(CHEMBL3297746)
Show SMILES COc1c(oc2c(O)c(O)ccc2c1=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O7/c1-22-16-12(20)8-3-5-10(18)13(21)15(8)23-14(16)7-2-4-9(17)11(19)6-7/h2-6,17-19,21H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



CSIRO Manufacturing Flagship (Biomedical)

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta1-42 (unknown origin) aggregation assessed as amyloid fibril formation tested after 17 hrs by thioflavin T fluorescence met...


Bioorg Med Chem Lett 24: 3108-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.008
BindingDB Entry DOI: 10.7270/Q2S1842P
More data for this
Ligand-Target Pair