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PubMed code 15771413

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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 |t:46|
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 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))		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 |t:45|
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))		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 |t:1|
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))		BDBM10585
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{8-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
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))		BDBM10584
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{7-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
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))		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 |t:1|
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))		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 |t:1|
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))		BDBM10583
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{6-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
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))		BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
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
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 |t:2|
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
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 |t:1|
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))		BDBM10582
PNG
(15-ethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:2|
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))		BDBM10584
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{7-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
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))		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 |t:1|
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))		BDBM10583
PNG
(3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{6-[(1,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
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))		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 |t:1|
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))		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 |t:1|
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))		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 |t:45|
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))		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 |t:46|
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))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 43.9n/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		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 205n/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		3D
3D Structure (crystal)
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 |t:1|
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))		BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
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n/an/a 260n/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))		BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
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n/an/a>1.00E+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
* indicates data uncertainty>20%