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37 similar compounds to monomer 8961

Compile data set for download or QSAR
Wt: 243.2
BDBM8988
Wt: 243.2
BDBM8989
Wt: 228.2
BDBM8990
Wt: 213.2
BDBM8991
Wt: 216.2
BDBM8992
Wt: 212.2
BDBM8984
Purchase
Wt: 212.2
BDBM8985
Wt: 232.7
BDBM8986
Wt: 232.7
BDBM8987
Wt: 267.1
BDBM10516
Wt: 422.5
BDBM10478
Purchase
Wt: 212.2
BDBM61825
Purchase
Wt: 183.2
BDBM50038731
Purchase
Wt: 184.2
BDBM50060477
Purchase
Wt: 212.2
BDBM50060483
Purchase
Displayed 1 to 15 (of 37 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 75 hits for monomerid = 8988,8989,8990,8991,8992,8984,8985,8986,8987,10516,10478,61825,50038731,50060477,50060483   
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))
BDBM10516
PNG
(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine | C...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
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1n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of fetal Bovine serum AChE


J Med Chem 46: 1-4 (2002)


Article DOI: 10.1021/jm0255668
BindingDB Entry DOI: 10.7270/Q2GF0V7X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10516
PNG
(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine | C...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
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PubMed
1 -12.3n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10516
PNG
(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine | C...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
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PubMed
50 -9.95n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10516
PNG
(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine | C...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
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50n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of Equine Butyrylcholinesterase


J Med Chem 46: 1-4 (2002)


Article DOI: 10.1021/jm0255668
BindingDB Entry DOI: 10.7270/Q2GF0V7X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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8.00E+4n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
The competitive inhibitory activity against trypanothione reductase was evaluated from Lineweaver Burk plots


J Med Chem 42: 5448-54 (2000)


Article DOI: 10.1021/jm990386s
BindingDB Entry DOI: 10.7270/Q2FJ2G0Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8984
PNG
(7-methyl-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Cc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 8.10E+3n/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))
BDBM8985
PNG
(6-methyl-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Cc1ccc2c(N)c3CCCCc3nc2c1
Show InChI InChI=1S/C14H16N2/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 100n/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))
BDBM8986
PNG
(7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
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n/an/a 550n/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))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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PubMed
n/an/a 9.90n/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))
BDBM8988
PNG
(7-nitro-1,2,3,4-tetrahydroacridin-9-amine | Tacrin...)
Show SMILES Nc1c2CCCCc2nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H13N3O2/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16(17)18)7-10(12)13/h5-7H,1-4H2,(H2,14,15)
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n/an/a 3.00E+3n/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))
BDBM8989
PNG
(6-nitro-1,2,3,4-tetrahydroacridin-9-amine | Tacrin...)
Show SMILES Nc1c2CCCCc2nc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H13N3O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h5-7H,1-4H2,(H2,14,15)
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n/an/a 28n/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))
BDBM8990
PNG
(6-methoxy-1,2,3,4-tetrahydroacridin-9-amine | Tacr...)
Show SMILES COc1ccc2c(N)c3CCCCc3nc2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 350n/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))
BDBM8991
PNG
(5,6,7,8-tetrahydroacridine-2,9-diamine | 7,9-Diami...)
Show SMILES Nc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C13H15N3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4,14H2,(H2,15,16)
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n/an/a 3.80E+3n/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))
BDBM8992
PNG
(6-fluoro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Nc1c2CCCCc2nc2cc(F)ccc12
Show InChI InChI=1S/C13H13FN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 87n/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


(Rattus norvegicus (rat))
BDBM10478
PNG
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)
Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
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n/an/a 711n/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))
BDBM10478
PNG
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)
Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
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n/an/a 102n/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


(Homo sapiens (Human))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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PubMed
n/an/a 8.32n/an/an/an/a8.025



Universitat de Barcelona



Assay Description
AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...


J Med Chem 52: 5365-79 (2009)


Article DOI: 10.1021/jm900859q
BindingDB Entry DOI: 10.7270/Q2707ZSB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 5.73n/an/an/an/a8.025



Universitat de Barcelona



Assay Description
AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...


J Med Chem 52: 5365-79 (2009)


Article DOI: 10.1021/jm900859q
BindingDB Entry DOI: 10.7270/Q2707ZSB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 916n/an/an/an/an/an/a



Universitat de Barcelona



Assay Description
BChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using BChE from human serum and butyrylthiocholine as substrat...


J Med Chem 52: 5365-79 (2009)


Article DOI: 10.1021/jm900859q
BindingDB Entry DOI: 10.7270/Q2707ZSB
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61825
PNG
(2-chloranyl-5-nitro-benzoic acid;5-methyl-1,2,3,4-...)
Show SMILES Cc1cccc2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C14H16N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3,(H2,15,16)
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PCBioAssay
n/an/an/an/a 3.65E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM61825
PNG
(2-chloranyl-5-nitro-benzoic acid;5-methyl-1,2,3,4-...)
Show SMILES Cc1cccc2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C14H16N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3,(H2,15,16)
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n/an/an/an/a 5.53E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PK4
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM61825
PNG
(2-chloranyl-5-nitro-benzoic acid;5-methyl-1,2,3,4-...)
Show SMILES Cc1cccc2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C14H16N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3,(H2,15,16)
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n/an/an/an/a 3.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61825
PNG
(2-chloranyl-5-nitro-benzoic acid;5-methyl-1,2,3,4-...)
Show SMILES Cc1cccc2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C14H16N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3,(H2,15,16)
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n/an/an/an/a 5.24E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q24X567P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8986
PNG
(7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of (BChE) Butyrylcholinesterase of horse serum


Bioorg Med Chem Lett 2: 861-864 (1992)


Article DOI: 10.1016/S0960-894X(00)80545-4
BindingDB Entry DOI: 10.7270/Q29886XS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of (BChE) Butyrylcholinesterase of horse serum


Bioorg Med Chem Lett 2: 861-864 (1992)


Article DOI: 10.1016/S0960-894X(00)80545-4
BindingDB Entry DOI: 10.7270/Q29886XS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50038731
PNG
(1,2,3,4-Tetrahydro-acridine | CHEMBL292518)
Show SMILES C1CCc2nc3ccccc3cc2C1
Show InChI InChI=1S/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,7,9H,2,4,6,8H2
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n/an/a 136n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase in mice at the dose of 6.6 mg/kg via intraperitoneal administration


J Med Chem 37: 1996-2000 (1994)


Article DOI: 10.1021/jm00039a013
BindingDB Entry DOI: 10.7270/Q2BZ654H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50060477
PNG
(2,3-Dihydro-1H-cyclopenta[b]quinolin-9-ylamine | 2...)
Show SMILES Nc1c2CCCc2nc2ccccc12
Show InChI InChI=1S/C12H12N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H2,13,14)
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n/an/a 56n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060483
PNG
(7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinolin-11-yl...)
Show SMILES Nc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50060483
PNG
(7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinolin-11-yl...)
Show SMILES Nc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
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n/an/a 39n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060477
PNG
(2,3-Dihydro-1H-cyclopenta[b]quinolin-9-ylamine | 2...)
Show SMILES Nc1c2CCCc2nc2ccccc12
Show InChI InChI=1S/C12H12N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H2,13,14)
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n/an/a 600n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50060477
PNG
(2,3-Dihydro-1H-cyclopenta[b]quinolin-9-ylamine | 2...)
Show SMILES Nc1c2CCCc2nc2ccccc12
Show InChI InChI=1S/C12H12N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H2,13,14)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50060483
PNG
(7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinolin-11-yl...)
Show SMILES Nc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060483
PNG
(7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinolin-11-yl...)
Show SMILES Nc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
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n/an/a 14n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060477
PNG
(2,3-Dihydro-1H-cyclopenta[b]quinolin-9-ylamine | 2...)
Show SMILES Nc1c2CCCc2nc2ccccc12
Show InChI InChI=1S/C12H12N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H2,13,14)
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n/an/a 52n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 7.20n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method


J Med Chem 57: 8576-89 (2014)


Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 847n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method


J Med Chem 57: 8576-89 (2014)


Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 114n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis


Eur J Med Chem 84: 107-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 5.90n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis


Eur J Med Chem 84: 107-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 79n/an/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman spectrophotometric method


Bioorg Med Chem Lett 25: 1541-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.015
BindingDB Entry DOI: 10.7270/Q29G5PGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 14n/an/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman spectrophotometric method


Bioorg Med Chem Lett 25: 1541-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.015
BindingDB Entry DOI: 10.7270/Q29G5PGP
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 17n/an/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine chloride as substrate after 15 mins by Ellman spectrophotometric method


Bioorg Med Chem Lett 25: 1541-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.015
BindingDB Entry DOI: 10.7270/Q29G5PGP
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10478
PNG
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)
Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
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n/an/a 102n/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))
BDBM10478
PNG
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)
Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
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n/an/a 711n/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))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 20n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...


J Med Chem 58: 8985-9003 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01325
BindingDB Entry DOI: 10.7270/Q29P33GZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 1.78E+3n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...


J Med Chem 58: 8985-9003 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01325
BindingDB Entry DOI: 10.7270/Q29P33GZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8986
PNG
(7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
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n/an/a 743n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay


Bioorg Med Chem Lett 2: 861-864 (1992)


Article DOI: 10.1016/S0960-894X(00)80545-4
BindingDB Entry DOI: 10.7270/Q29886XS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8986
PNG
(7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay


Bioorg Med Chem Lett 2: 861-864 (1992)


Article DOI: 10.1016/S0960-894X(00)80545-4
BindingDB Entry DOI: 10.7270/Q29886XS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay


Bioorg Med Chem Lett 2: 861-864 (1992)


Article DOI: 10.1016/S0960-894X(00)80545-4
BindingDB Entry DOI: 10.7270/Q29886XS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay


Bioorg Med Chem Lett 2: 861-864 (1992)


Article DOI: 10.1016/S0960-894X(00)80545-4
BindingDB Entry DOI: 10.7270/Q29886XS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8986
PNG
(7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
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n/an/a 3.68E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)


Article DOI: 10.1016/S0960-894X(00)80267-X
BindingDB Entry DOI: 10.7270/Q2G73DN0
More data for this
Ligand-Target Pair
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