BindingDB logo
myBDB logout

94 similar compounds to monomer 9054

Compile data set for download or QSAR
Wt: 517.1
BDBM9038
Wt: 478.6
BDBM9047
Purchase
Wt: 514.6
BDBM9050
Wt: 528.6
BDBM9051
Wt: 542.7
BDBM9052
Wt: 547.5
BDBM9053
Wt: 575.6
BDBM9055
Wt: 506.7
BDBM9059
Wt: 520.7
BDBM9060
Wt: 534.7
BDBM9061
Wt: 322.8
BDBM8997
Wt: 310.4
BDBM9000
Wt: 310.4
BDBM9001
Wt: 330.8
BDBM9002
Wt: 314.4
BDBM9005
Displayed 1 to 15 (of 94 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 9038,9047,9050,9051,9052,9053,9055,9059,9060,9061,8997,9000,9001,9002,9005   
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))
BDBM8997
PNG
(N-Benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES Clc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
Show InChI InChI=1S/C20H19ClN2/c21-15-10-11-17-19(12-15)23-18-9-5-4-8-16(18)20(17)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/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)


Article DOI: 10.1021/jm990971t
BindingDB Entry DOI: 10.7270/Q2057D4R
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM9002
PNG
(6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1021/jm990971t
BindingDB Entry DOI: 10.7270/Q2057D4R
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9002
PNG
(6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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)


Article DOI: 10.1021/jm990971t
BindingDB Entry DOI: 10.7270/Q2057D4R
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9005
PNG
(6-fluoro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(F)ccc12
Show InChI InChI=1S/C20H27FN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/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)


Article DOI: 10.1021/jm990971t
BindingDB Entry DOI: 10.7270/Q2057D4R
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


(Rattus norvegicus (rat))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9050
PNG
(6-fluoro-N-{6-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H36F2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9051
PNG
(6-fluoro-N-{7-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38F2N4/c34-22-14-16-26-30(20-22)38-28-12-6-4-10-24(28)32(26)36-18-8-2-1-3-9-19-37-33-25-11-5-7-13-29(25)39-31-21-23(35)15-17-27(31)33/h14-17,20-21H,1-13,18-19H2,(H,36,38)(H,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9052
PNG
(6-fluoro-N-{8-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H40F2N4/c35-23-15-17-27-31(21-23)39-29-13-7-5-11-25(29)33(27)37-19-9-3-1-2-4-10-20-38-34-26-12-6-8-14-30(26)40-32-22-24(36)16-18-28(32)34/h15-18,21-22H,1-14,19-20H2,(H,37,39)(H,38,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9053
PNG
(6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H36Cl2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9055
PNG
(6-chloro-N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H40Cl2N4/c35-23-15-17-27-31(21-23)39-29-13-7-5-11-25(29)33(27)37-19-9-3-1-2-4-10-20-38-34-26-12-6-8-14-30(26)40-32-22-24(36)16-18-28(32)34/h15-18,21-22H,1-14,19-20H2,(H,37,39)(H,38,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9059
PNG
(Homodimeric Tacrine Analog 4a | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCNc1c2CCCCCc2nc2ccccc12)CCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(13-23-35-33-25-15-5-3-7-19-29(25)37-31-21-11-9-17-27(31)33)2-14-24-36-34-26-16-6-4-8-20-30(26)38-32-22-12-10-18-28(32)34/h9-12,17-18,21-22H,1-8,13-16,19-20,23-24H2,(H,35,37)(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9060
PNG
(Homodimeric Tacrine Analog 4b | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C35H44N4/c1(2-14-24-36-34-26-16-6-4-8-20-30(26)38-32-22-12-10-18-28(32)34)3-15-25-37-35-27-17-7-5-9-21-31(27)39-33-23-13-11-19-29(33)35/h10-13,18-19,22-23H,1-9,14-17,20-21,24-25H2,(H,36,38)(H,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9061
PNG
(Homodimeric Tacrine Analog 4c | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4/c1(3-15-25-37-35-27-17-7-5-9-21-31(27)39-33-23-13-11-19-29(33)35)2-4-16-26-38-36-28-18-8-6-10-22-32(28)40-34-24-14-12-20-30(34)36/h11-14,19-20,23-24H,1-10,15-18,21-22,25-26H2,(H,37,39)(H,38,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9061
PNG
(Homodimeric Tacrine Analog 4c | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4/c1(3-15-25-37-35-27-17-7-5-9-21-31(27)39-33-23-13-11-19-29(33)35)2-4-16-26-38-36-28-18-8-6-10-22-32(28)40-34-24-14-12-20-30(34)36/h11-14,19-20,23-24H,1-10,15-18,21-22,25-26H2,(H,37,39)(H,38,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 333n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9050
PNG
(6-fluoro-N-{6-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H36F2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9051
PNG
(6-fluoro-N-{7-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38F2N4/c34-22-14-16-26-30(20-22)38-28-12-6-4-10-24(28)32(26)36-18-8-2-1-3-9-19-37-33-25-11-5-7-13-29(25)39-31-21-23(35)15-17-27(31)33/h14-17,20-21H,1-13,18-19H2,(H,36,38)(H,37,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 257n/an/an/an/an/an/a



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9052
PNG
(6-fluoro-N-{8-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H40F2N4/c35-23-15-17-27-31(21-23)39-29-13-7-5-11-25(29)33(27)37-19-9-3-1-2-4-10-20-38-34-26-12-6-8-14-30(26)40-32-22-24(36)16-18-28(32)34/h15-18,21-22H,1-14,19-20H2,(H,37,39)(H,38,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 164n/an/an/an/an/an/a



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9053
PNG
(6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H36Cl2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 312n/an/an/an/an/an/a



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9055
PNG
(6-chloro-N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H40Cl2N4/c35-23-15-17-27-31(21-23)39-29-13-7-5-11-25(29)33(27)37-19-9-3-1-2-4-10-20-38-34-26-12-6-8-14-30(26)40-32-22-24(36)16-18-28(32)34/h15-18,21-22H,1-14,19-20H2,(H,37,39)(H,38,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 194n/an/an/an/an/an/a



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9059
PNG
(Homodimeric Tacrine Analog 4a | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCNc1c2CCCCCc2nc2ccccc12)CCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(13-23-35-33-25-15-5-3-7-19-29(25)37-31-21-11-9-17-27(31)33)2-14-24-36-34-26-16-6-4-8-20-30(26)38-32-22-12-10-18-28(32)34/h9-12,17-18,21-22H,1-8,13-16,19-20,23-24H2,(H,35,37)(H,36,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9060
PNG
(Homodimeric Tacrine Analog 4b | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C35H44N4/c1(2-14-24-36-34-26-16-6-4-8-20-30(26)38-32-22-12-10-18-28(32)34)3-15-25-37-35-27-17-7-5-9-21-31(27)39-33-23-13-11-19-29(33)35/h10-13,18-19,22-23H,1-9,14-17,20-21,24-25H2,(H,36,38)(H,37,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9061
PNG
(Homodimeric Tacrine Analog 4c | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4/c1(3-15-25-37-35-27-17-7-5-9-21-31(27)39-33-23-13-11-19-29(33)35)2-4-16-26-38-36-28-18-8-6-10-22-32(28)40-34-24-14-12-20-30(34)36/h11-14,19-20,23-24H,1-10,15-18,21-22,25-26H2,(H,37,39)(H,38,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/a7.437



Hong Kong University of Science and Technology



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Bioorg Med Chem 7: 351-7 (1999)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q2T43R9Q
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 119n/an/an/an/a7.437



Hong Kong University of Science and Technology



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Bioorg Med Chem 7: 351-7 (1999)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q2T43R9Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8997
PNG
(N-Benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES Clc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
Show InChI InChI=1S/C20H19ClN2/c21-15-10-11-17-19(12-15)23-18-9-5-4-8-16(18)20(17)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/a8.025



University of Waterloo



Assay Description
Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...


Chem Biol Drug Des 88: 710-723 (2016)


Article DOI: 10.1111/cbdd.12800
BindingDB Entry DOI: 10.7270/Q26D5RSX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8997
PNG
(N-Benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES Clc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
Show InChI InChI=1S/C20H19ClN2/c21-15-10-11-17-19(12-15)23-18-9-5-4-8-16(18)20(17)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/a8.025



University of Waterloo



Assay Description
Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...


Chem Biol Drug Des 88: 710-723 (2016)


Article DOI: 10.1111/cbdd.12800
BindingDB Entry DOI: 10.7270/Q26D5RSX
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 119n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat serum BuChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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


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))
BDBM9050
PNG
(6-fluoro-N-{6-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H36F2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/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))
BDBM9051
PNG
(6-fluoro-N-{7-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38F2N4/c34-22-14-16-26-30(20-22)38-28-12-6-4-10-24(28)32(26)36-18-8-2-1-3-9-19-37-33-25-11-5-7-13-29(25)39-31-21-23(35)15-17-27(31)33/h14-17,20-21H,1-13,18-19H2,(H,36,38)(H,37,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/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))
BDBM9052
PNG
(6-fluoro-N-{8-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H40F2N4/c35-23-15-17-27-31(21-23)39-29-13-7-5-11-25(29)33(27)37-19-9-3-1-2-4-10-20-38-34-26-12-6-8-14-30(26)40-32-22-24(36)16-18-28(32)34/h15-18,21-22H,1-14,19-20H2,(H,37,39)(H,38,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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))
BDBM9053
PNG
(6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H36Cl2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/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))
BDBM9055
PNG
(6-chloro-N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H40Cl2N4/c35-23-15-17-27-31(21-23)39-29-13-7-5-11-25(29)33(27)37-19-9-3-1-2-4-10-20-38-34-26-12-6-8-14-30(26)40-32-22-24(36)16-18-28(32)34/h15-18,21-22H,1-14,19-20H2,(H,37,39)(H,38,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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))
BDBM9060
PNG
(Homodimeric Tacrine Analog 4b | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C35H44N4/c1(2-14-24-36-34-26-16-6-4-8-20-30(26)38-32-22-12-10-18-28(32)34)3-15-25-37-35-27-17-7-5-9-21-31(27)39-33-23-13-11-19-29(33)35/h10-13,18-19,22-23H,1-9,14-17,20-21,24-25H2,(H,36,38)(H,37,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


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


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))
BDBM9061
PNG
(Homodimeric Tacrine Analog 4c | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4/c1(3-15-25-37-35-27-17-7-5-9-21-31(27)39-33-23-13-11-19-29(33)35)2-4-16-26-38-36-28-18-8-6-10-22-32(28)40-34-24-14-12-20-30(34)36/h11-14,19-20,23-24H,1-10,15-18,21-22,25-26H2,(H,37,39)(H,38,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/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))
BDBM9000
PNG
(N-heptyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2ccc(C)cc12
Show InChI InChI=1S/C21H30N2/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/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))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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))
BDBM9002
PNG
(6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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))
BDBM9005
PNG
(6-fluoro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(F)ccc12
Show InChI InChI=1S/C20H27FN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


(Electrophorus electricus (Electric eel))
BDBM9002
PNG
(6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9000
PNG
(N-heptyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2ccc(C)cc12
Show InChI InChI=1S/C21H30N2/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/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)


Article DOI: 10.1021/jm990971t
BindingDB Entry DOI: 10.7270/Q2057D4R
More data for this
Ligand-Target Pair