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BDBM50008559 4,5-Dimethoxy-2-methyl-indan-1-one::CHEMBL155371

SMILES: COc1ccc2C(=O)C(C)Cc2c1OC

InChI Key: InChIKey=RRGLXSHXUVBPPY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50008559   
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
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008559
PNG
(4,5-Dimethoxy-2-methyl-indan-1-one | CHEMBL155371)
Show SMILES COc1ccc2C(=O)C(C)Cc2c1OC
Show InChI InChI=1S/C12H14O3/c1-7-6-9-8(11(7)13)4-5-10(14-2)12(9)15-3/h4-5,7H,6H2,1-3H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (human))
BDBM50008559
PNG
(4,5-Dimethoxy-2-methyl-indan-1-one | CHEMBL155371)
Show SMILES COc1ccc2C(=O)C(C)Cc2c1OC
Show InChI InChI=1S/C12H14O3/c1-7-6-9-8(11(7)13)4-5-10(14-2)12(9)15-3/h4-5,7H,6H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair