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BDBM199184 N-(3-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-amine (8c)

SMILES: COc1cccc(CNc2c3CCCCc3nc3ccccc23)c1

InChI Key: InChIKey=QOASWZIFVOPOIY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 199184   
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))
BDBM199184
PNG
(N-(3-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-am...)
Show SMILES COc1cccc(CNc2c3CCCCc3nc3ccccc23)c1
Show InChI InChI=1S/C21H22N2O/c1-24-16-8-6-7-15(13-16)14-22-21-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)21/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/a8.025



University of Waterloo



Assay Description
Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...


Chem Biol Drug Des 88: 710-723 (2016)


Article DOI: 10.1111/cbdd.12800
BindingDB Entry DOI: 10.7270/Q26D5RSX
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM199184
PNG
(N-(3-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-am...)
Show SMILES COc1cccc(CNc2c3CCCCc3nc3ccccc23)c1
Show InChI InChI=1S/C21H22N2O/c1-24-16-8-6-7-15(13-16)14-22-21-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)21/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/a8.025



University of Waterloo



Assay Description
Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...


Chem Biol Drug Des 88: 710-723 (2016)


Article DOI: 10.1111/cbdd.12800
BindingDB Entry DOI: 10.7270/Q26D5RSX
More data for this
Ligand-Target Pair