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BDBM50322767 2-Methyl-7-{[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl}quinolin-8-ol Dihydrochloride::CHEMBL1172618

SMILES: Cc1ccc2ccc(CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(O)c2n1

InChI Key: InChIKey=KDCDKEGHPMCTKJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50322767   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50322767
PNG
(2-Methyl-7-{[8-(1,2,3,4-tetrahydroacridin-9-ylamin...)
Show SMILES Cc1ccc2ccc(CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(O)c2n1
Show InChI InChI=1S/C32H40N4O/c1-23-16-17-24-18-19-25(32(37)30(24)35-23)22-33-20-10-4-2-3-5-11-21-34-31-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)31/h6,8,12,14,16-19,33,37H,2-5,7,9-11,13,15,20-22H2,1H3,(H,34,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of human 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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50322767
PNG
(2-Methyl-7-{[8-(1,2,3,4-tetrahydroacridin-9-ylamin...)
Show SMILES Cc1ccc2ccc(CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(O)c2n1
Show InChI InChI=1S/C32H40N4O/c1-23-16-17-24-18-19-25(32(37)30(24)35-23)22-33-20-10-4-2-3-5-11-21-34-31-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)31/h6,8,12,14,16-19,33,37H,2-5,7,9-11,13,15,20-22H2,1H3,(H,34,36)
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PC sid
UniChem
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PubMed
n/an/a 2n/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))
BDBM50322767
PNG
(2-Methyl-7-{[8-(1,2,3,4-tetrahydroacridin-9-ylamin...)
Show SMILES Cc1ccc2ccc(CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(O)c2n1
Show InChI InChI=1S/C32H40N4O/c1-23-16-17-24-18-19-25(32(37)30(24)35-23)22-33-20-10-4-2-3-5-11-21-34-31-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)31/h6,8,12,14,16-19,33,37H,2-5,7,9-11,13,15,20-22H2,1H3,(H,34,36)
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n/an/a 75n/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
Cholinesterases


(Homo sapiens (Human))
BDBM50322767
PNG
(2-Methyl-7-{[8-(1,2,3,4-tetrahydroacridin-9-ylamin...)
Show SMILES Cc1ccc2ccc(CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(O)c2n1
Show InChI InChI=1S/C32H40N4O/c1-23-16-17-24-18-19-25(32(37)30(24)35-23)22-33-20-10-4-2-3-5-11-21-34-31-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)31/h6,8,12,14,16-19,33,37H,2-5,7,9-11,13,15,20-22H2,1H3,(H,34,36)
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n/an/a 6.5n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of human 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