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BDBM50322774 7-{{3-{Methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl)-amino]propylamino}methyl}quinolin-8-ol Dihydrochloride::CHEMBL1173042

SMILES: CN(CCCNCc1ccc2cccnc2c1O)CCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=MYMSIBNBHHKOSO-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50322774   
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))
BDBM50322774
PNG
(7-{{3-{Methyl[3-(1,2,3,4-tetrahydroacridin-9-ylami...)
Show SMILES CN(CCCNCc1ccc2cccnc2c1O)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H37N5O/c1-35(19-7-16-31-21-23-15-14-22-9-6-17-32-28(22)30(23)36)20-8-18-33-29-24-10-2-4-12-26(24)34-27-13-5-3-11-25(27)29/h2,4,6,9-10,12,14-15,17,31,36H,3,5,7-8,11,13,16,18-21H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/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))
BDBM50322774
PNG
(7-{{3-{Methyl[3-(1,2,3,4-tetrahydroacridin-9-ylami...)
Show SMILES CN(CCCNCc1ccc2cccnc2c1O)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H37N5O/c1-35(19-7-16-31-21-23-15-14-22-9-6-17-32-28(22)30(23)36)20-8-18-33-29-24-10-2-4-12-26(24)34-27-13-5-3-11-25(27)29/h2,4,6,9-10,12,14-15,17,31,36H,3,5,7-8,11,13,16,18-21H2,1H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/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