BindingDB logo
myBDB logout

BDBM8994 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine::Tacrine Analogue 11

SMILES: COc1cc2nc3CCCCc3c(N)c2cc1OC

InChI Key: InChIKey=KZBQUUNPSWNEND-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 8994   
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))
BDBM8994
PNG
(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine | ...)
Show SMILES COc1cc2nc3CCCCc3c(N)c2cc1OC
Show InChI InChI=1S/C15H18N2O2/c1-18-13-7-10-12(8-14(13)19-2)17-11-6-4-3-5-9(11)15(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


J Med Chem 43: 2007-18 (2000)


Article DOI: 10.1021/jm990971t
BindingDB Entry DOI: 10.7270/Q2057D4R
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8994
PNG
(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine | ...)
Show SMILES COc1cc2nc3CCCCc3c(N)c2cc1OC
Show InChI InChI=1S/C15H18N2O2/c1-18-13-7-10-12(8-14(13)19-2)17-11-6-4-3-5-9(11)15(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.25E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against human erythrocyte acetylcholinesterase


J Med Chem 47: 4471-82 (2004)


Article DOI: 10.1021/jm049877p
BindingDB Entry DOI: 10.7270/Q26974WJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8994
PNG
(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine | ...)
Show SMILES COc1cc2nc3CCCCc3c(N)c2cc1OC
Show InChI InChI=1S/C15H18N2O2/c1-18-13-7-10-12(8-14(13)19-2)17-11-6-4-3-5-9(11)15(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair