new BindingDB logo
myBDB logout

BDBM50322782 5-Chloro-7-{{3-{methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino}propylamino}methyl}quinolin-8-ol Dihydrochloride::CHEMBL1173052

SMILES: CN(CCCNCc1cc(Cl)c2cccnc2c1O)CCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=PAIAUVBTMGLHFA-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 = 50322782   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50322782
PNG
(5-Chloro-7-{{3-{methyl[3-(1,2,3,4-tetrahydroacridi...)
Show SMILES CN(CCCNCc1cc(Cl)c2cccnc2c1O)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H36ClN5O/c1-36(17-7-14-32-20-21-19-25(31)22-11-6-15-34-29(22)30(21)37)18-8-16-33-28-23-9-2-4-12-26(23)35-27-13-5-3-10-24(27)28/h2,4,6,9,11-12,15,19,32,37H,3,5,7-8,10,13-14,16-18,20H2,1H3,(H,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's reaction


J Med Chem 53: 4927-37 (2010)


Article DOI: 10.1021/jm100329q
BindingDB Entry DOI: 10.7270/Q22Z15QR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50322782
PNG
(5-Chloro-7-{{3-{methyl[3-(1,2,3,4-tetrahydroacridi...)
Show SMILES CN(CCCNCc1cc(Cl)c2cccnc2c1O)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H36ClN5O/c1-36(17-7-14-32-20-21-19-25(31)22-11-6-15-34-29(22)30(21)37)18-8-16-33-28-23-9-2-4-12-26(23)35-27-13-5-3-10-24(27)28/h2,4,6,9,11-12,15,19,32,37H,3,5,7-8,10,13-14,16-18,20H2,1H3,(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's reaction


J Med Chem 53: 4927-37 (2010)


Article DOI: 10.1021/jm100329q
BindingDB Entry DOI: 10.7270/Q22Z15QR
More data for this
Ligand-Target Pair