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PubMed code 16274989

Compile data set for download or QSAR
Found 40 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


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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440n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176468
PNG
(CHEMBL202223 | haloxysterol B)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8-9,15,17-19,21-27,30-32H,7,10-14,16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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850n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176465
PNG
(CHEMBL382961 | haloxysterol C)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176468
PNG
(CHEMBL202223 | haloxysterol B)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8-9,15,17-19,21-27,30-32H,7,10-14,16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176470
PNG
(24-ethyl-cholest-7-ene-3,5,6-triol | CHEMBL201951)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(O)C4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h16,18-21,23-26,30-32H,7-15,17H2,1-6H3/t19-,20?,21+,23-,24+,25+,26?,27-,28-,29?/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176472
PNG
(CHEMBL202496 | lawsaritol)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176466
PNG
(24-ethylcholest-6-ene-3,5-diol | CHEMBL201866)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,19-26,30-31H,7-12,14-16,18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29?/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176466
PNG
(24-ethylcholest-6-ene-3,5-diol | CHEMBL201866)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,19-26,30-31H,7-12,14-16,18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29?/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176469
PNG
(CHEMBL202221 | haloxysterol A)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8,17-19,21-27,30-32H,7,9-16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176473
PNG
((24S)-ethylcholesta-7,9(11),22(E)-triene-3b-ol | C...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,15,19-26,30H,7,12-14,16-18H2,1-6H3/b9-8+/t20-,21-,22?,23+,24+,25-,26+,28+,29-/m1/s1
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4.60E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176471
PNG
(5alpha,8alpha-epidioxy-(24S)-ethylcholesta-6,9(11)...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)C(C)C
Show InChI InChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21-,22+,23-,24-,26-,27-,28-,29+/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176469
PNG
(CHEMBL202221 | haloxysterol A)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8,17-19,21-27,30-32H,7,9-16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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7.60E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176470
PNG
(24-ethyl-cholest-7-ene-3,5,6-triol | CHEMBL201951)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(O)C4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h16,18-21,23-26,30-32H,7-15,17H2,1-6H3/t19-,20?,21+,23-,24+,25+,26?,27-,28-,29?/m1/s1
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1.26E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176472
PNG
(CHEMBL202496 | lawsaritol)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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1.61E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176465
PNG
(CHEMBL382961 | haloxysterol C)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176473
PNG
((24S)-ethylcholesta-7,9(11),22(E)-triene-3b-ol | C...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,15,19-26,30H,7,12-14,16-18H2,1-6H3/b9-8+/t20-,21-,22?,23+,24+,25-,26+,28+,29-/m1/s1
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2.06E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176471
PNG
(5alpha,8alpha-epidioxy-(24S)-ethylcholesta-6,9(11)...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)C(C)C
Show InChI InChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21-,22+,23-,24-,26-,27-,28-,29+/m1/s1
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2.55E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176468
PNG
(CHEMBL202223 | haloxysterol B)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8-9,15,17-19,21-27,30-32H,7,10-14,16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176465
PNG
(CHEMBL382961 | haloxysterol C)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176470
PNG
(24-ethyl-cholest-7-ene-3,5,6-triol | CHEMBL201951)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(O)C4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h16,18-21,23-26,30-32H,7-15,17H2,1-6H3/t19-,20?,21+,23-,24+,25+,26?,27-,28-,29?/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176468
PNG
(CHEMBL202223 | haloxysterol B)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8-9,15,17-19,21-27,30-32H,7,10-14,16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176466
PNG
(24-ethylcholest-6-ene-3,5-diol | CHEMBL201866)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,19-26,30-31H,7-12,14-16,18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29?/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176466
PNG
(24-ethylcholest-6-ene-3,5-diol | CHEMBL201866)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,19-26,30-31H,7-12,14-16,18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29?/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176472
PNG
(CHEMBL202496 | lawsaritol)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176473
PNG
((24S)-ethylcholesta-7,9(11),22(E)-triene-3b-ol | C...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,15,19-26,30H,7,12-14,16-18H2,1-6H3/b9-8+/t20-,21-,22?,23+,24+,25-,26+,28+,29-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176469
PNG
(CHEMBL202221 | haloxysterol A)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8,17-19,21-27,30-32H,7,9-16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176471
PNG
(5alpha,8alpha-epidioxy-(24S)-ethylcholesta-6,9(11)...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)C(C)C
Show InChI InChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21-,22+,23-,24-,26-,27-,28-,29+/m1/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176469
PNG
(CHEMBL202221 | haloxysterol A)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8,17-19,21-27,30-32H,7,9-16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176470
PNG
(24-ethyl-cholest-7-ene-3,5,6-triol | CHEMBL201951)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(O)C4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h16,18-21,23-26,30-32H,7-15,17H2,1-6H3/t19-,20?,21+,23-,24+,25+,26?,27-,28-,29?/m1/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176472
PNG
(CHEMBL202496 | lawsaritol)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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PubMed
n/an/a 1.52E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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n/an/a 1.72E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176465
PNG
(CHEMBL382961 | haloxysterol C)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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n/an/a 1.78E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176473
PNG
((24S)-ethylcholesta-7,9(11),22(E)-triene-3b-ol | C...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,15,19-26,30H,7,12-14,16-18H2,1-6H3/b9-8+/t20-,21-,22?,23+,24+,25-,26+,28+,29-/m1/s1
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n/an/a 1.92E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176471
PNG
(5alpha,8alpha-epidioxy-(24S)-ethylcholesta-6,9(11)...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)C(C)C
Show InChI InChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21-,22+,23-,24-,26-,27-,28-,29+/m1/s1
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n/an/a 2.64E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%