BindingDB logo
myBDB logout

BDBM50149212 CHEMBL117521::N-(1,2,3,4,8a,10a-Hexahydro-acridin-9-yl)-N'-(1,2,3,4-tetrahydro-acridin-9-yl)-heptane-1,7-diamine

SMILES: C(CCCNC1=C2CCCCC2=NC2C=CCC=C12)CCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=JTKUMCFSYOWVTO-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 = 50149212   
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


(Rattus norvegicus (rat))
BDBM50149212
PNG
(CHEMBL117521 | N-(1,2,3,4,8a,10a-Hexahydro-acridin...)
Show SMILES C(CCCNC1=C2CCCCC2=NC2C=CCC=C12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H42N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,8,10,14,16,18,20,30,35H,1-3,5-7,9,11-13,15,17,19,21-23H2,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acetylcholinesterase in rat brain


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair