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16 similar compounds to monomer 9017

Compile data set for download or QSAR
Wt: 470.6
BDBM9018
Wt: 503.0
BDBM9035
Wt: 517.1
BDBM9038
Wt: 489.0
BDBM9008
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Wt: 503.0
BDBM9009
Wt: 489.0
BDBM9010
Wt: 523.4
BDBM9011
Wt: 537.5
BDBM9012
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Wt: 484.6
BDBM9013
Wt: 498.6
BDBM9014
Wt: 519.0
BDBM9015
Wt: 519.0
BDBM9016
Wt: 590.1
BDBM132074
Wt: 520.0
BDBM132075
Wt: 632.2
BDBM132086
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 9018,9035,9038,9008,9009,9010,9011,9012,9013,9014,9015,9016,132074,132075,132086   
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


(Bos taurus (bovine))
BDBM9008
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-6-4-9-23(26)29(24)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
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n/an/a 2n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.200n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine liver beta galactosidase


Eur J Med Chem 128: 332-345 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9010
PNG
(6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12
Show InChI InChI=1S/C29H33ClN4O/c30-23-11-8-14-26-28(23)29(22-10-4-6-13-25(22)34-26)32-17-7-1-2-15-27(35)31-18-16-20-19-33-24-12-5-3-9-21(20)24/h3,5,8-9,11-12,14,19,33H,1-2,4,6-7,10,13,15-18H2,(H,31,35)(H,32,34)
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n/an/a 65n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9011
PNG
(6-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35)
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n/an/a 3.5n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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n/an/a 2n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9013
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C30H36N4O2/c1-36-22-14-15-26-25(19-22)21(20-33-26)16-18-31-29(35)13-3-2-8-17-32-30-23-9-4-6-11-27(23)34-28-12-7-5-10-24(28)30/h4,6,9,11,14-15,19-20,33H,2-3,5,7-8,10,12-13,16-18H2,1H3,(H,31,35)(H,32,34)
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n/an/a 9n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9014
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)
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n/an/a 2.30n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9015
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1
Show InChI InChI=1S/C30H35ClN4O2/c1-37-22-11-13-26-25(18-22)20(19-34-26)14-16-32-29(36)9-3-2-6-15-33-30-23-7-4-5-8-27(23)35-28-17-21(31)10-12-24(28)30/h10-13,17-19,34H,2-9,14-16H2,1H3,(H,32,36)(H,33,35)
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n/an/a 12n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9016
PNG
(6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1
Show InChI InChI=1S/C30H35ClN4O2/c1-37-21-13-14-25-23(18-21)20(19-34-25)15-17-32-28(36)12-3-2-6-16-33-30-22-8-4-5-10-26(22)35-27-11-7-9-24(31)29(27)30/h7,9,11,13-14,18-19,34H,2-6,8,10,12,15-17H2,1H3,(H,32,36)(H,33,35)
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n/an/a 25n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9018
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)
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n/an/a 35n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9008
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-6-4-9-23(26)29(24)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
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n/an/a 5.20n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 8.10n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9010
PNG
(6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12
Show InChI InChI=1S/C29H33ClN4O/c30-23-11-8-14-26-28(23)29(22-10-4-6-13-25(22)34-26)32-17-7-1-2-15-27(35)31-18-16-20-19-33-24-12-5-3-9-21(20)24/h3,5,8-9,11-12,14,19,33H,1-2,4,6-7,10,13,15-18H2,(H,31,35)(H,32,34)
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n/an/a 15n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9011
PNG
(6-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35)
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n/an/a 8.20n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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n/an/a 85n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9013
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C30H36N4O2/c1-36-22-14-15-26-25(19-22)21(20-33-26)16-18-31-29(35)13-3-2-8-17-32-30-23-9-4-6-11-27(23)34-28-12-7-5-10-24(28)30/h4,6,9,11,14-15,19-20,33H,2-3,5,7-8,10,12-13,16-18H2,1H3,(H,31,35)(H,32,34)
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n/an/a 2n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9014
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)
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n/an/a 2.5n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9015
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1
Show InChI InChI=1S/C30H35ClN4O2/c1-37-22-11-13-26-25(18-22)20(19-34-26)14-16-32-29(36)9-3-2-6-15-33-30-23-7-4-5-8-27(23)35-28-17-21(31)10-12-24(28)30/h10-13,17-19,34H,2-9,14-16H2,1H3,(H,32,36)(H,33,35)
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n/an/a 55n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9016
PNG
(6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1
Show InChI InChI=1S/C30H35ClN4O2/c1-37-21-13-14-25-23(18-21)20(19-34-25)15-17-32-28(36)12-3-2-6-16-33-30-22-8-4-5-10-26(22)35-27-11-7-9-24(31)29(27)30/h7,9,11,13-14,18-19,34H,2-6,8,10,12,15-17H2,1H3,(H,32,36)(H,33,35)
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n/an/a 22n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9018
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)
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n/an/a 3.5n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.100n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9010
PNG
(6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12
Show InChI InChI=1S/C29H33ClN4O/c30-23-11-8-14-26-28(23)29(22-10-4-6-13-25(22)34-26)32-17-7-1-2-15-27(35)31-18-16-20-19-33-24-12-5-3-9-21(20)24/h3,5,8-9,11-12,14,19,33H,1-2,4,6-7,10,13,15-18H2,(H,31,35)(H,32,34)
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n/an/a 0.870n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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n/an/a 0.00800n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9014
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)
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n/an/a 0.650n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9018
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)
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n/an/a 0.450n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 35n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9010
PNG
(6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12
Show InChI InChI=1S/C29H33ClN4O/c30-23-11-8-14-26-28(23)29(22-10-4-6-13-25(22)34-26)32-17-7-1-2-15-27(35)31-18-16-20-19-33-24-12-5-3-9-21(20)24/h3,5,8-9,11-12,14,19,33H,1-2,4,6-7,10,13,15-18H2,(H,31,35)(H,32,34)
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n/an/a 23n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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n/an/a 7.80n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9014
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)
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n/an/a 3n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9018
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)
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n/an/a 1n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9035
PNG
(Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.200n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9038
PNG
(Indole-Tacrine Heterodimer 21 | N-[6-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-16-17-26-29(20-23)36-28-14-6-4-12-25(28)31(26)34-19-8-2-1-7-18-33-30(37)15-9-10-22-21-35-27-13-5-3-11-24(22)27/h3,5,11,13,16-17,20-21,35H,1-2,4,6-10,12,14-15,18-19H2,(H,33,37)(H,34,36)
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Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9035
PNG
(Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 11.7n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9038
PNG
(Indole-Tacrine Heterodimer 21 | N-[6-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-16-17-26-29(20-23)36-28-14-6-4-12-25(28)31(26)34-19-8-2-1-7-18-33-30(37)15-9-10-22-21-35-27-13-5-3-11-24(22)27/h3,5,11,13,16-17,20-21,35H,1-2,4,6-10,12,14-15,18-19H2,(H,33,37)(H,34,36)
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n/an/a 5.60n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM132074
PNG
(US8841453, 4)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-28(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-19-24(34)11-13-27(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)
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n/an/a 7.70n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM132075
PNG
(US8841453, 5)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C28H30ClN5O3/c1-17(35)30-11-10-18-16-33-24-9-7-20(15-23(18)24)37-28(36)32-13-12-31-27-21-4-2-3-5-25(21)34-26-14-19(29)6-8-22(26)27/h6-9,14-16,33H,2-5,10-13H2,1H3,(H,30,35)(H,31,34)(H,32,36)
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n/an/a 20.1n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM132086
PNG
(US8841453, 18)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-31(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-22-27(37)14-16-30(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)
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n/an/a 8.10n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM132074
PNG
(US8841453, 4)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-28(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-19-24(34)11-13-27(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)
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n/an/a 0.380n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM132075
PNG
(US8841453, 5)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C28H30ClN5O3/c1-17(35)30-11-10-18-16-33-24-9-7-20(15-23(18)24)37-28(36)32-13-12-31-27-21-4-2-3-5-25(21)34-26-14-19(29)6-8-22(26)27/h6-9,14-16,33H,2-5,10-13H2,1H3,(H,30,35)(H,31,34)(H,32,36)
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n/an/a 34.5n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM132086
PNG
(US8841453, 18)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-31(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-22-27(37)14-16-30(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)
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n/an/a 1.20n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9035
PNG
(Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.200n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9038
PNG
(Indole-Tacrine Heterodimer 21 | N-[6-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-16-17-26-29(20-23)36-28-14-6-4-12-25(28)31(26)34-19-8-2-1-7-18-33-30(37)15-9-10-22-21-35-27-13-5-3-11-24(22)27/h3,5,11,13,16-17,20-21,35H,1-2,4,6-10,12,14-15,18-19H2,(H,33,37)(H,34,36)
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n/an/a 0.5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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n/an/a 8n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human AchE


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.200n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair