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BDBM50008542 5,6-Diethoxy-2-methyl-indan-1-one::CHEMBL158242

SMILES: CCOc1cc2CC(C)C(=O)c2cc1OCC

InChI Key: InChIKey=ANVLUJVUZOJZJH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50008542   
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))
BDBM50008542
PNG
(5,6-Diethoxy-2-methyl-indan-1-one | CHEMBL158242)
Show SMILES CCOc1cc2CC(C)C(=O)c2cc1OCC
Show InChI InChI=1S/C14H18O3/c1-4-16-12-7-10-6-9(3)14(15)11(10)8-13(12)17-5-2/h7-9H,4-6H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.30n/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
Cholinesterases; ACHE & BCHE


(Homo sapiens (human))
BDBM50008542
PNG
(5,6-Diethoxy-2-methyl-indan-1-one | CHEMBL158242)
Show SMILES CCOc1cc2CC(C)C(=O)c2cc1OCC
Show InChI InChI=1S/C14H18O3/c1-4-16-12-7-10-6-9(3)14(15)11(10)8-13(12)17-5-2/h7-9H,4-6H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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