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31 similar compounds to monomer 50318732

Wt: 470.6
BDBM9018
Wt: 454.6
BDBM9020
Wt: 489.0
BDBM9021
Wt: 503.0
BDBM9022
Wt: 517.1
BDBM9023
Wt: 531.1
BDBM9024
Wt: 545.1
BDBM9025
Wt: 559.1
BDBM9026
Wt: 497.6
BDBM9027
Wt: 532.1
BDBM9028
Wt: 528.0
BDBM9029
Wt: 503.0
BDBM9035
Wt: 503.0
BDBM9037
Wt: 517.1
BDBM9038
Wt: 310.4
BDBM9001
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 9018,9020,9021,9022,9023,9024,9025,9026,9027,9028,9029,9035,9037,9038,9001   
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


(Homo sapiens (human))
BDBM9001
PNG
(N-heptyl-6-methyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(C)ccc12
Show InChI InChI=1S/C21H30N2/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-15-16(2)12-13-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
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PubMed
n/an/a 130n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


J Med Chem 43: 2007-18 (2000)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9022
PNG
(CHEMBL225567 | Indole-Tacrine Heterodimer 5 | N-[5...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,14-15,19-20,34H,1-2,4,6-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human AchE-induced amyloid beta aggregation


J Med Chem 51: 347-72 (2008)

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)

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)

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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9020
PNG
(3-(1H-Indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H34N4O/c34-28(17-16-21-20-32-25-13-5-2-10-22(21)25)30-18-8-1-9-19-31-29-23-11-3-6-14-26(23)33-27-15-7-4-12-24(27)29/h2-3,5-6,10-11,13-14,20,32H,1,4,7-9,12,15-19H2,(H,30,34)(H,31,33)
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n/an/a 70n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9021
PNG
(Indole-Tacrine Heterodimer 4 | N-[5-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
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n/an/a 4n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9022
PNG
(CHEMBL225567 | Indole-Tacrine Heterodimer 5 | N-[5...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,14-15,19-20,34H,1-2,4,6-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.0200n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9023
PNG
(CHEMBL225198 | Indole-Tacrine Heterodimer 6 | N-[7...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-15-16-26-29(20-23)36-28-13-7-5-11-25(28)31(26)34-19-9-3-1-2-8-18-33-30(37)17-14-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,15-16,20-21,35H,1-3,5,7-9,11,13-14,17-19H2,(H,33,37)(H,34,36)
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n/an/a 0.0600n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9024
PNG
(Indole-Tacrine Heterodimer 7 | N-[8-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H39ClN4O/c33-24-16-17-27-30(21-24)37-29-14-8-6-12-26(29)32(27)35-20-10-4-2-1-3-9-19-34-31(38)18-15-23-22-36-28-13-7-5-11-25(23)28/h5,7,11,13,16-17,21-22,36H,1-4,6,8-10,12,14-15,18-20H2,(H,34,38)(H,35,37)
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n/an/a 0.5n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9025
PNG
(Indole-Tacrine Heterodimer 8 | N-[9-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H41ClN4O/c34-25-17-18-28-31(22-25)38-30-15-9-7-13-27(30)33(28)36-21-11-5-3-1-2-4-10-20-35-32(39)19-16-24-23-37-29-14-8-6-12-26(24)29/h6,8,12,14,17-18,22-23,37H,1-5,7,9-11,13,15-16,19-21H2,(H,35,39)(H,36,38)
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n/an/a 4.40n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9026
PNG
(Indole-Tacrine Heterodimer 9 | N-[10-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H43ClN4O/c35-26-18-19-29-32(23-26)39-31-16-10-8-14-28(31)34(29)37-22-12-6-4-2-1-3-5-11-21-36-33(40)20-17-25-24-38-30-15-9-7-13-27(25)30/h7,9,13,15,18-19,23-24,38H,1-6,8,10-12,14,16-17,20-22H2,(H,36,40)(H,37,39)
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n/an/a 21.9n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9027
PNG
(3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahyd...)
Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N5O/c1-36(20-8-18-32-30(37)17-16-23-22-34-27-13-5-2-10-24(23)27)21-9-19-33-31-25-11-3-6-14-28(25)35-29-15-7-4-12-26(29)31/h2-3,5-6,10-11,13-14,22,34H,4,7-9,12,15-21H2,1H3,(H,32,37)(H,33,35)
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n/an/a 147n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9028
PNG
(Indole-Tacrine Heterodimer 11 | N-(3-{[3-(6-Chloro...)
Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C31H38ClN5O/c1-37(18-6-16-33-30(38)15-12-22-21-35-27-10-4-2-8-24(22)27)19-7-17-34-31-25-9-3-5-11-28(25)36-29-20-23(32)13-14-26(29)31/h2,4,8,10,13-14,20-21,35H,3,5-7,9,11-12,15-19H2,1H3,(H,33,38)(H,34,36)
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n/an/a 2.90n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9029
PNG
(Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H34ClN5O/c32-23-11-12-25-29(18-23)37-28-8-4-3-7-24(28)31(25)35-16-6-2-1-5-15-34-30(38)14-10-22-20-36-27-13-9-21(19-33)17-26(22)27/h9,11-13,17-18,20,36H,1-8,10,14-16H2,(H,34,38)(H,35,37)
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n/an/a 0.700n/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)

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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9037
PNG
(Indole-Tacrine Heterodimer 20 | N-[5-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-15-16-25-28(19-22)35-27-13-5-3-11-24(27)30(25)33-18-7-1-6-17-32-29(36)14-8-9-21-20-34-26-12-4-2-10-23(21)26/h2,4,10,12,15-16,19-20,34H,1,3,5-9,11,13-14,17-18H2,(H,32,36)(H,33,35)
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n/an/a 0.300n/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)

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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n/an/a 0.5n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9020
PNG
(3-(1H-Indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H34N4O/c34-28(17-16-21-20-32-25-13-5-2-10-22(21)25)30-18-8-1-9-19-31-29-23-11-3-6-14-26(23)33-27-15-7-4-12-24(27)29/h2-3,5-6,10-11,13-14,20,32H,1,4,7-9,12,15-19H2,(H,30,34)(H,31,33)
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n/an/a 1n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9021
PNG
(Indole-Tacrine Heterodimer 4 | N-[5-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
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n/an/a 16n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9022
PNG
(CHEMBL225567 | Indole-Tacrine Heterodimer 5 | N-[5...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,14-15,19-20,34H,1-2,4,6-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 2.90n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9023
PNG
(CHEMBL225198 | Indole-Tacrine Heterodimer 6 | N-[7...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-15-16-26-29(20-23)36-28-13-7-5-11-25(28)31(26)34-19-9-3-1-2-8-18-33-30(37)17-14-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,15-16,20-21,35H,1-3,5,7-9,11,13-14,17-19H2,(H,33,37)(H,34,36)
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n/an/a 0.100n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9024
PNG
(Indole-Tacrine Heterodimer 7 | N-[8-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H39ClN4O/c33-24-16-17-27-30(21-24)37-29-14-8-6-12-26(29)32(27)35-20-10-4-2-1-3-9-19-34-31(38)18-15-23-22-36-28-13-7-5-11-25(23)28/h5,7,11,13,16-17,21-22,36H,1-4,6,8-10,12,14-15,18-20H2,(H,34,38)(H,35,37)
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n/an/a 5.70n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9025
PNG
(Indole-Tacrine Heterodimer 8 | N-[9-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H41ClN4O/c34-25-17-18-28-31(22-25)38-30-15-9-7-13-27(30)33(28)36-21-11-5-3-1-2-4-10-20-35-32(39)19-16-24-23-37-29-14-8-6-12-26(24)29/h6,8,12,14,17-18,22-23,37H,1-5,7,9-11,13,15-16,19-21H2,(H,35,39)(H,36,38)
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n/an/a 9.60n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9026
PNG
(Indole-Tacrine Heterodimer 9 | N-[10-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H43ClN4O/c35-26-18-19-29-32(23-26)39-31-16-10-8-14-28(31)34(29)37-22-12-6-4-2-1-3-5-11-21-36-33(40)20-17-25-24-38-30-15-9-7-13-27(25)30/h7,9,13,15,18-19,23-24,38H,1-6,8,10-12,14,16-17,20-22H2,(H,36,40)(H,37,39)
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n/an/a 54n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9027
PNG
(3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahyd...)
Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N5O/c1-36(20-8-18-32-30(37)17-16-23-22-34-27-13-5-2-10-24(23)27)21-9-19-33-31-25-11-3-6-14-28(25)35-29-15-7-4-12-26(29)31/h2-3,5-6,10-11,13-14,22,34H,4,7-9,12,15-21H2,1H3,(H,32,37)(H,33,35)
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n/an/a 0.0300n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9028
PNG
(Indole-Tacrine Heterodimer 11 | N-(3-{[3-(6-Chloro...)
Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C31H38ClN5O/c1-37(18-6-16-33-30(38)15-12-22-21-35-27-10-4-2-8-24(22)27)19-7-17-34-31-25-9-3-5-11-28(25)36-29-20-23(32)13-14-26(29)31/h2,4,8,10,13-14,20-21,35H,3,5-7,9,11-12,15-19H2,1H3,(H,33,38)(H,34,36)
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n/an/a 21.4n/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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9029
PNG
(Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H34ClN5O/c32-23-11-12-25-29(18-23)37-28-8-4-3-7-24(28)31(25)35-16-6-2-1-5-15-34-30(38)14-10-22-20-36-27-13-9-21(19-33)17-26(22)27/h9,11-13,17-18,20,36H,1-8,10,14-16H2,(H,34,38)(H,35,37)
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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)

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)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM9037
PNG
(Indole-Tacrine Heterodimer 20 | N-[5-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-15-16-25-28(19-22)35-27-13-5-3-11-24(27)30(25)33-18-7-1-6-17-32-29(36)14-8-9-21-20-34-26-12-4-2-10-23(21)26/h2,4,10,12,15-16,19-20,34H,1,3,5-9,11,13-14,17-18H2,(H,32,36)(H,33,35)
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n/an/a 3.20n/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)

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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9023
PNG
(CHEMBL225198 | Indole-Tacrine Heterodimer 6 | N-[7...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-15-16-26-29(20-23)36-28-13-7-5-11-25(28)31(26)34-19-9-3-1-2-8-18-33-30(37)17-14-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,15-16,20-21,35H,1-3,5,7-9,11,13-14,17-19H2,(H,33,37)(H,34,36)
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n/an/a 60n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9022
PNG
(CHEMBL225567 | Indole-Tacrine Heterodimer 5 | N-[5...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,14-15,19-20,34H,1-2,4,6-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 20n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9001
PNG
(N-heptyl-6-methyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(C)ccc12
Show InChI InChI=1S/C21H30N2/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-15-16(2)12-13-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
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n/an/a 130n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9020
PNG
(3-(1H-Indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H34N4O/c34-28(17-16-21-20-32-25-13-5-2-10-22(21)25)30-18-8-1-9-19-31-29-23-11-3-6-14-26(23)33-27-15-7-4-12-24(27)29/h2-3,5-6,10-11,13-14,20,32H,1,4,7-9,12,15-19H2,(H,30,34)(H,31,33)
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n/an/a 70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9021
PNG
(Indole-Tacrine Heterodimer 4 | N-[5-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
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n/an/a 4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9024
PNG
(Indole-Tacrine Heterodimer 7 | N-[8-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H39ClN4O/c33-24-16-17-27-30(21-24)37-29-14-8-6-12-26(29)32(27)35-20-10-4-2-1-3-9-19-34-31(38)18-15-23-22-36-28-13-7-5-11-25(23)28/h5,7,11,13,16-17,21-22,36H,1-4,6,8-10,12,14-15,18-20H2,(H,34,38)(H,35,37)
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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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9025
PNG
(Indole-Tacrine Heterodimer 8 | N-[9-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H41ClN4O/c34-25-17-18-28-31(22-25)38-30-15-9-7-13-27(30)33(28)36-21-11-5-3-1-2-4-10-20-35-32(39)19-16-24-23-37-29-14-8-6-12-26(24)29/h6,8,12,14,17-18,22-23,37H,1-5,7,9-11,13,15-16,19-21H2,(H,35,39)(H,36,38)
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n/an/a 4.40n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9026
PNG
(Indole-Tacrine Heterodimer 9 | N-[10-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H43ClN4O/c35-26-18-19-29-32(23-26)39-31-16-10-8-14-28(31)34(29)37-22-12-6-4-2-1-3-5-11-21-36-33(40)20-17-25-24-38-30-15-9-7-13-27(25)30/h7,9,13,15,18-19,23-24,38H,1-6,8,10-12,14,16-17,20-22H2,(H,36,40)(H,37,39)
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n/an/a 21.9n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9027
PNG
(3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahyd...)
Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N5O/c1-36(20-8-18-32-30(37)17-16-23-22-34-27-13-5-2-10-24(23)27)21-9-19-33-31-25-11-3-6-14-28(25)35-29-15-7-4-12-26(29)31/h2-3,5-6,10-11,13-14,22,34H,4,7-9,12,15-21H2,1H3,(H,32,37)(H,33,35)
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n/an/a 147n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9028
PNG
(Indole-Tacrine Heterodimer 11 | N-(3-{[3-(6-Chloro...)
Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C31H38ClN5O/c1-37(18-6-16-33-30(38)15-12-22-21-35-27-10-4-2-8-24(22)27)19-7-17-34-31-25-9-3-5-11-28(25)36-29-20-23(32)13-14-26(29)31/h2,4,8,10,13-14,20-21,35H,3,5-7,9,11-12,15-19H2,1H3,(H,33,38)(H,34,36)
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n/an/a 2.90n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9029
PNG
(Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H34ClN5O/c32-23-11-12-25-29(18-23)37-28-8-4-3-7-24(28)31(25)35-16-6-2-1-5-15-34-30(38)14-10-22-20-36-27-13-9-21(19-33)17-26(22)27/h9,11-13,17-18,20,36H,1-8,10,14-16H2,(H,34,38)(H,35,37)
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n/an/a 0.700n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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

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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9037
PNG
(Indole-Tacrine Heterodimer 20 | N-[5-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-15-16-25-28(19-22)35-27-13-5-3-11-24(27)30(25)33-18-7-1-6-17-32-29(36)14-8-9-21-20-34-26-12-4-2-10-23(21)26/h2,4,10,12,15-16,19-20,34H,1,3,5-9,11,13-14,17-18H2,(H,32,36)(H,33,35)
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n/an/a 0.300n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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

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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9023
PNG
(CHEMBL225198 | Indole-Tacrine Heterodimer 6 | N-[7...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-15-16-26-29(20-23)36-28-13-7-5-11-25(28)31(26)34-19-9-3-1-2-8-18-33-30(37)17-14-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,15-16,20-21,35H,1-3,5,7-9,11,13-14,17-19H2,(H,33,37)(H,34,36)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human AchE-induced amyloid beta aggregation


J Med Chem 51: 347-72 (2008)

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)

More data for this
Ligand-Target Pair