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BDBM50322766 7-{[9-(1,2,3,4-Tetrahydroacridin-9-ylamino)nonylamino]methyl}-quinolin-8-ol Dihydrochloride::CHEMBL1173662

SMILES: Oc1c(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12

InChI Key: InChIKey=YZEBCQMSYNIRDF-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 = 50322766   
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))
BDBM50322766
PNG
(7-{[9-(1,2,3,4-Tetrahydroacridin-9-ylamino)nonylam...)
Show SMILES Oc1c(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12
Show InChI InChI=1S/C32H40N4O/c37-32-25(19-18-24-13-12-22-34-30(24)32)23-33-20-10-4-2-1-3-5-11-21-35-31-26-14-6-8-16-28(26)36-29-17-9-7-15-27(29)31/h6,8,12-14,16,18-19,22,33,37H,1-5,7,9-11,15,17,20-21,23H2,(H,35,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.5n/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))
BDBM50322766
PNG
(7-{[9-(1,2,3,4-Tetrahydroacridin-9-ylamino)nonylam...)
Show SMILES Oc1c(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12
Show InChI InChI=1S/C32H40N4O/c37-32-25(19-18-24-13-12-22-34-30(24)32)23-33-20-10-4-2-1-3-5-11-21-35-31-26-14-6-8-16-28(26)36-29-17-9-7-15-27(29)31/h6,8,12-14,16,18-19,22,33,37H,1-5,7,9-11,15,17,20-21,23H2,(H,35,36)
PDB

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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))
BDBM50322766
PNG
(7-{[9-(1,2,3,4-Tetrahydroacridin-9-ylamino)nonylam...)
Show SMILES Oc1c(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12
Show InChI InChI=1S/C32H40N4O/c37-32-25(19-18-24-13-12-22-34-30(24)32)23-33-20-10-4-2-1-3-5-11-21-35-31-26-14-6-8-16-28(26)36-29-17-9-7-15-27(29)31/h6,8,12-14,16,18-19,22,33,37H,1-5,7,9-11,15,17,20-21,23H2,(H,35,36)
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n/an/a 20n/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))
BDBM50322766
PNG
(7-{[9-(1,2,3,4-Tetrahydroacridin-9-ylamino)nonylam...)
Show SMILES Oc1c(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12
Show InChI InChI=1S/C32H40N4O/c37-32-25(19-18-24-13-12-22-34-30(24)32)23-33-20-10-4-2-1-3-5-11-21-35-31-26-14-6-8-16-28(26)36-29-17-9-7-15-27(29)31/h6,8,12-14,16,18-19,22,33,37H,1-5,7,9-11,15,17,20-21,23H2,(H,35,36)
PDB
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PC cid
PC sid
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Article
PubMed
n/an/a 20n/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