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65 similar compounds to monomer 50369748

Compile data set for download or QSAR
Wt: 572.8
BDBM10582
Wt: 565.1
BDBM10583
Wt: 579.2
BDBM10584
Wt: 593.2
BDBM10585
Wt: 298.8
BDBM10597
Wt: 594.2
BDBM10586
Wt: 599.6
BDBM10587
Wt: 613.6
BDBM10588
Wt: 627.6
BDBM10589
Wt: 628.6
BDBM10590
Wt: 284.7
BDBM10592
Wt: 312.4
BDBM50079868
Wt: 278.3
BDBM50079869
Wt: 292.4
BDBM50079870
Wt: 276.3
BDBM50079872
Displayed 1 to 15 (of 65 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 78 hits for monomerid = 10582,10583,10584,10585,10597,10586,10587,10588,10589,10590,10592,50079868,50079869,50079870,50079872   
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))
BDBM10597
PNG
((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)
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Article
PubMed
0.0260 -14.4n/an/an/an/an/a8.025



Universita di Siena



Assay Description
The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...


J Med Chem 49: 3421-5 (2006)


Article DOI: 10.1021/jm060257t
BindingDB Entry DOI: 10.7270/Q2WW7FWB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10597
PNG
((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)
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Article
PubMed
0.0260 -14.4n/an/an/an/an/a7.025



Mayo Clinic College of Medicine



Assay Description
Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...


Biochemistry 52: 7486-99 (2013)


Article DOI: 10.1021/bi401043w
BindingDB Entry DOI: 10.7270/Q24X56GT
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10597
PNG
((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)
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PubMed
120 -9.43n/an/an/an/an/a8.025



Universita di Siena



Assay Description
The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...


J Med Chem 49: 3421-5 (2006)


Article DOI: 10.1021/jm060257t
BindingDB Entry DOI: 10.7270/Q2WW7FWB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10582
PNG
(15-ethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C39H48N4/c1-2-27-23-28-25-29(24-27)37-36(26-28)43-35-20-12-9-17-32(35)39(37)41-22-14-6-4-3-5-13-21-40-38-30-15-7-10-18-33(30)42-34-19-11-8-16-31(34)38/h7,9-10,12,15,17-18,20,23,28-29H,2-6,8,11,13-14,16,19,21-22,24-26H2,1H3,(H,40,42)(H,41,43)
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n/an/a 0.820n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10583
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{6-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H41ClN4/c1-23-18-24-20-25(19-23)34-33(21-24)41-32-22-26(37)14-15-29(32)36(34)39-17-9-3-2-8-16-38-35-27-10-4-6-12-30(27)40-31-13-7-5-11-28(31)35/h4,6,10,12,14-15,18,22,24-25H,2-3,5,7-9,11,13,16-17,19-21H2,1H3,(H,38,40)(H,39,41)
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n/an/a 0.5n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10584
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{7-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C37H43ClN4/c1-24-19-25-21-26(20-24)35-34(22-25)42-33-23-27(38)15-16-30(33)37(35)40-18-10-4-2-3-9-17-39-36-28-11-5-7-13-31(28)41-32-14-8-6-12-29(32)36/h5,7,11,13,15-16,19,23,25-26H,2-4,6,8-10,12,14,17-18,20-22H2,1H3,(H,39,41)(H,40,42)
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n/an/a 0.340n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10585
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{8-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H45ClN4/c1-25-20-26-22-27(21-25)36-35(23-26)43-34-24-28(39)16-17-31(34)38(36)41-19-11-5-3-2-4-10-18-40-37-29-12-6-8-14-32(29)42-33-15-9-7-13-30(33)37/h6,8,12,14,16-17,20,24,26-27H,2-5,7,9-11,13,15,18-19,21-23H2,1H3,(H,40,42)(H,41,43)
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n/an/a 0.330n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10586
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{...)
Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3
Show InChI InChI=1S/C37H44ClN5/c1-24-19-25-21-26(20-24)35-34(22-25)42-33-23-27(38)13-14-30(33)37(35)40-16-8-18-43(2)17-7-15-39-36-28-9-3-5-11-31(28)41-32-12-6-4-10-29(32)36/h3,5,9,11,13-14,19,23,25-26H,4,6-8,10,12,15-18,20-22H2,1-2H3,(H,39,41)(H,40,42)
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n/an/a 0.320n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10587
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{6-[(6-...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C36H40Cl2N4/c1-22-16-23-18-24(17-22)34-33(19-23)42-32-21-26(38)11-13-29(32)36(34)40-15-7-3-2-6-14-39-35-27-8-4-5-9-30(27)41-31-20-25(37)10-12-28(31)35/h10-13,16,20-21,23-24H,2-9,14-15,17-19H2,1H3,(H,39,41)(H,40,42)
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n/an/a 0.450n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10588
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{7-[(6-...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C37H42Cl2N4/c1-23-17-24-19-25(18-23)35-34(20-24)43-33-22-27(39)12-14-30(33)37(35)41-16-8-4-2-3-7-15-40-36-28-9-5-6-10-31(28)42-32-21-26(38)11-13-29(32)36/h11-14,17,21-22,24-25H,2-10,15-16,18-20H2,1H3,(H,40,42)(H,41,43)
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n/an/a 0.330n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10589
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{8-[(6-...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C38H44Cl2N4/c1-24-18-25-20-26(19-24)36-35(21-25)44-34-23-28(40)13-15-31(34)38(36)42-17-9-5-3-2-4-8-16-41-37-29-10-6-7-11-32(29)43-33-22-27(39)12-14-30(33)37/h12-15,18,22-23,25-26H,2-11,16-17,19-21H2,1H3,(H,41,43)(H,42,44)
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n/an/a 0.400n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10590
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{...)
Show SMILES CN(CCCNc1c2CCCCc2nc2cc(Cl)ccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3
Show InChI InChI=1S/C37H43Cl2N5/c1-23-17-24-19-25(18-23)35-34(20-24)43-33-22-27(39)10-12-30(33)37(35)41-14-6-16-44(2)15-5-13-40-36-28-7-3-4-8-31(28)42-32-21-26(38)9-11-29(32)36/h9-12,17,21-22,24-25H,3-8,13-16,18-20H2,1-2H3,(H,40,42)(H,41,43)
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PubMed
n/an/a 0.290n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.780n/an/an/an/a8.025



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10582
PNG
(15-ethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C39H48N4/c1-2-27-23-28-25-29(24-27)37-36(26-28)43-35-20-12-9-17-32(35)39(37)41-22-14-6-4-3-5-13-21-40-38-30-15-7-10-18-33(30)42-34-19-11-8-16-31(34)38/h7,9-10,12,15,17-18,20,23,28-29H,2-6,8,11,13-14,16,19,21-22,24-26H2,1H3,(H,40,42)(H,41,43)
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n/an/a 5.55n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10583
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{6-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H41ClN4/c1-23-18-24-20-25(19-23)34-33(21-24)41-32-22-26(37)14-15-29(32)36(34)39-17-9-3-2-8-16-38-35-27-10-4-6-12-30(27)40-31-13-7-5-11-28(31)35/h4,6,10,12,14-15,18,22,24-25H,2-3,5,7-9,11,13,16-17,19-21H2,1H3,(H,38,40)(H,39,41)
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n/an/a 7.69n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10584
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{7-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C37H43ClN4/c1-24-19-25-21-26(20-24)35-34(22-25)42-33-23-27(38)15-16-30(33)37(35)40-18-10-4-2-3-9-17-39-36-28-11-5-7-13-31(28)41-32-14-8-6-12-29(32)36/h5,7,11,13,15-16,19,23,25-26H,2-4,6,8-10,12,14,17-18,20-22H2,1H3,(H,39,41)(H,40,42)
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n/an/a 6.70n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10585
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{8-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H45ClN4/c1-25-20-26-22-27(21-25)36-35(23-26)43-34-24-28(39)16-17-31(34)38(36)41-19-11-5-3-2-4-10-18-40-37-29-12-6-8-14-32(29)42-33-15-9-7-13-30(33)37/h6,8,12,14,16-17,20,24,26-27H,2-5,7,9-11,13,15,18-19,21-23H2,1H3,(H,40,42)(H,41,43)
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n/an/a 4.74n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10586
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{...)
Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3
Show InChI InChI=1S/C37H44ClN5/c1-24-19-25-21-26(20-24)35-34(22-25)42-33-23-27(38)13-14-30(33)37(35)40-16-8-18-43(2)17-7-15-39-36-28-9-3-5-11-31(28)41-32-12-6-4-10-29(32)36/h3,5,9,11,13-14,19,23,25-26H,4,6-8,10,12,15-18,20-22H2,1-2H3,(H,39,41)(H,40,42)
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n/an/a 16.4n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10587
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{6-[(6-...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C36H40Cl2N4/c1-22-16-23-18-24(17-22)34-33(19-23)42-32-21-26(38)11-13-29(32)36(34)40-15-7-3-2-6-14-39-35-27-8-4-5-9-30(27)41-31-20-25(37)10-12-28(31)35/h10-13,16,20-21,23-24H,2-9,14-15,17-19H2,1H3,(H,39,41)(H,40,42)
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n/an/a 14n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10588
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{7-[(6-...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C37H42Cl2N4/c1-23-17-24-19-25(18-23)35-34(20-24)43-33-22-27(39)12-14-30(33)37(35)41-16-8-4-2-3-7-15-40-36-28-9-5-6-10-31(28)42-32-21-26(38)11-13-29(32)36/h11-14,17,21-22,24-25H,2-10,15-16,18-20H2,1H3,(H,40,42)(H,41,43)
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n/an/a 7.38n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10589
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{8-[(6-...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C38H44Cl2N4/c1-24-18-25-20-26(19-24)36-35(21-25)44-34-23-28(40)13-15-31(34)38(36)42-17-9-5-3-2-4-8-16-41-37-29-10-6-7-11-32(29)43-33-22-27(39)12-14-30(33)37/h12-15,18,22-23,25-26H,2-11,16-17,19-21H2,1H3,(H,41,43)(H,42,44)
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n/an/a 7.80n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10590
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{...)
Show SMILES CN(CCCNc1c2CCCCc2nc2cc(Cl)ccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3
Show InChI InChI=1S/C37H43Cl2N5/c1-23-17-24-19-25(18-23)35-34(20-24)43-33-22-27(39)10-12-30(33)37(35)41-14-6-16-44(2)15-5-13-40-36-28-7-3-4-8-31(28)42-32-21-26(38)9-11-29(32)36/h9-12,17,21-22,24-25H,3-8,13-16,18-20H2,1-2H3,(H,40,42)(H,41,43)
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n/an/a 31.1n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 236n/an/an/an/an/an/a



Universitat de Barcelona



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 48: 1701-4 (2005)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q21N7ZB6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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US Patent
n/an/a 0.690n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 181n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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US Patent
n/an/a 0.0800n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 1.10n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method


J Med Chem 57: 2549-67 (2014)


Article DOI: 10.1021/jm401824w
BindingDB Entry DOI: 10.7270/Q2FX7BZ9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 181n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method


J Med Chem 57: 2549-67 (2014)


Article DOI: 10.1021/jm401824w
BindingDB Entry DOI: 10.7270/Q2FX7BZ9
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM10589
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{8-[(6-...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C38H44Cl2N4/c1-24-18-25-20-26(19-24)36-35(21-25)44-34-23-28(40)13-15-31(34)38(36)42-17-9-5-3-2-4-8-16-41-37-29-10-6-7-11-32(29)43-33-22-27(39)12-14-30(33)37/h12-15,18,22-23,25-26H,2-11,16-17,19-21H2,1H3,(H,41,43)(H,42,44)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE-1 using M-2420 as substrate preincubated for 1 hr prior substrate addition measured after 15 mins by spectrofluo...


J Med Chem 55: 661-9 (2012)


Article DOI: 10.1021/jm200840c
BindingDB Entry DOI: 10.7270/Q26974KH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10585
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{8-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H45ClN4/c1-25-20-26-22-27(21-25)36-35(23-26)43-34-24-28(39)16-17-31(34)38(36)41-19-11-5-3-2-4-10-18-40-37-29-12-6-8-14-32(29)42-33-15-9-7-13-30(33)37/h6,8,12,14,16-17,20,24,26-27H,2-5,7,9-11,13,15,18-19,21-23H2,1H3,(H,40,42)(H,41,43)
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n/an/a 1.40n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior substrate addition measured after 5 m...


J Med Chem 55: 661-9 (2012)


Article DOI: 10.1021/jm200840c
BindingDB Entry DOI: 10.7270/Q26974KH
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 175n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine iodide preincubated for 20 mins before substrate addition by Ellman method


Bioorg Med Chem 22: 5298-307 (2014)


Article DOI: 10.1016/j.bmc.2014.07.053
BindingDB Entry DOI: 10.7270/Q2M61MV9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.700n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins before substrate addition by Ellman method


Bioorg Med Chem 22: 5298-307 (2014)


Article DOI: 10.1016/j.bmc.2014.07.053
BindingDB Entry DOI: 10.7270/Q2M61MV9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.610n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman method


Bioorg Med Chem Lett 24: 5435-8 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.025
BindingDB Entry DOI: 10.7270/Q2G162DS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 3.10n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 0 minutes of incubation


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 247n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (BChE) in human serum


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50079869
PNG
((rac)15-ethyl-5-methyl-10-azatetracyclo[11.3.1.02,...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cccc(C)c2c1N
Show InChI InChI=1S/C19H22N2/c1-3-12-7-13-9-14(8-12)18-16(10-13)21-15-6-4-5-11(2)17(15)19(18)20/h4-7,13-14H,3,8-10H2,1-2H3,(H2,20,21)
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n/an/a 29.8n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50079869
PNG
((rac)15-ethyl-5-methyl-10-azatetracyclo[11.3.1.02,...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cccc(C)c2c1N
Show InChI InChI=1S/C19H22N2/c1-3-12-7-13-9-14(8-12)18-16(10-13)21-15-6-4-5-11(2)17(15)19(18)20/h4-7,13-14H,3,8-10H2,1-2H3,(H2,20,21)
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n/an/a 512n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (BChE) in human serum


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 3.03n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 0 minutes of incubation


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 4.23n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 123n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase isolated from Human erythrocytes.


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.640n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 65n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 153n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (BChE) in human serum


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.0245n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.780n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase isolated from Human erythrocytes.


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 236n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (BChE) in human serum


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 1.15n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.320n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase isolated from Human erythrocytes.


J Med Chem 43: 4657-66 (2001)


Article DOI: 10.1021/jm000980y
BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50079868
PNG
((rac)15-phenyl-10-azatetracyclo[11.3.1.02,11.04,9]...)
Show SMILES Nc1c2C3CC(Cc2nc2ccccc12)C=C(C3)c1ccccc1
Show InChI InChI=1S/C22H20N2/c23-22-18-8-4-5-9-19(18)24-20-12-14-10-16(13-17(11-14)21(20)22)15-6-2-1-3-7-15/h1-10,14,17H,11-13H2,(H2,23,24)
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n/an/a 126n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE)activity in bovine erythrocytes


J Med Chem 42: 3227-42 (1999)


Article DOI: 10.1021/jm980620z
BindingDB Entry DOI: 10.7270/Q2H70GH6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50079869
PNG
((rac)15-ethyl-5-methyl-10-azatetracyclo[11.3.1.02,...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cccc(C)c2c1N
Show InChI InChI=1S/C19H22N2/c1-3-12-7-13-9-14(8-12)18-16(10-13)21-15-6-4-5-11(2)17(15)19(18)20/h4-7,13-14H,3,8-10H2,1-2H3,(H2,20,21)
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n/an/a 512n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (BChE) activity in human serum


J Med Chem 42: 3227-42 (1999)


Article DOI: 10.1021/jm980620z
BindingDB Entry DOI: 10.7270/Q2H70GH6
More data for this
Ligand-Target Pair
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