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PubMed code 21924611

Compile data set for download or QSAR
Found 38 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))
BDBM50203126
PNG
(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 40n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356913
PNG
(CHEMBL1915759)
Show SMILES CCCCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
Show InChI InChI=1S/C36H52O9/c1-10-11-14-44-32(43)20(3)16-22(38)15-19(2)23-17-27(41)36(9)28-24(39)18-25-33(5,6)26(40)12-13-34(25,7)29(28)30(42)31(35(23,36)8)45-21(4)37/h19-20,23,25-26,31,40H,10-18H2,1-9H3/t19-,20?,23-,25+,26+,31-,34+,35+,36+/m1/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356928
PNG
(CHEMBL1915765)
Show SMILES CCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C31H50O5/c1-8-9-16-36-25(35)11-10-19(2)20-12-15-30(6)27-21(32)17-23-28(3,4)24(34)13-14-29(23,5)26(27)22(33)18-31(20,30)7/h19-21,23-24,32,34H,8-18H2,1-7H3/t19-,20-,21+,23+,24+,29+,30+,31-/m1/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356929
PNG
(CHEMBL1915766)
Show SMILES CCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C31H48O5/c1-8-9-16-36-25(35)11-10-19(2)20-12-15-30(6)27-21(32)17-23-28(3,4)24(34)13-14-29(23,5)26(27)22(33)18-31(20,30)7/h19-21,23,32H,8-18H2,1-7H3/t19-,20-,21+,23+,29+,30+,31-/m1/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356921
PNG
(CHEMBL1915762)
Show SMILES C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23-25,31-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23+,24+,25+,28-,29-,30+/m1/s1
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n/an/a 1.63E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356927
PNG
(CHEMBL512830)
Show SMILES COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
Show InChI InChI=1S/C30H42O8/c1-15(9-10-22(35)37-8)17-13-21(34)30(7)23-18(32)14-19-27(3,4)20(33)11-12-28(19,5)24(23)25(36)26(29(17,30)6)38-16(2)31/h15,17,19-20,26,33H,9-14H2,1-8H3/t15-,17-,19+,20+,26-,28+,29+,30+/m1/s1
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n/an/a 1.71E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356912
PNG
(CHEMBL1915758)
Show SMILES COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@@H]2OC(C)(C)O[C@H]3C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C4=C3[C@@]2(C)[C@]1(C)CC4=O
Show InChI InChI=1S/C34H50O7/c1-18(13-20(35)14-19(2)29(38)39-10)21-15-26-34(9)28-23(40-31(5,6)41-26)16-24-30(3,4)25(37)11-12-32(24,7)27(28)22(36)17-33(21,34)8/h18-19,21,23-24,26H,11-17H2,1-10H3/t18-,19-,21-,23+,24+,26+,32+,33-,34+/m1/s1
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n/an/a 1.84E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356916
PNG
(CHEMBL465514)
Show SMILES C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
Show InChI InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,21+,28+,29-,30+/m1/s1
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n/an/a 1.84E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50203126
PNG
(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356919
PNG
(CHEMBL1915760)
Show SMILES C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24-25,31H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24+,25+,28-,29-,30+/m1/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356920
PNG
(CHEMBL1915761)
Show SMILES C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1
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n/an/a 2.18E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356923
PNG
(CHEMBL1915763)
Show SMILES C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30-/m1/s1
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n/an/a 2.23E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356915
PNG
(GANODERIC ACID B)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,22+,28+,29-,30+/m1/s1
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n/an/a 2.26E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356917
PNG
(GANOLUCIDIC ACID A)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
Show InChI InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22+,24+,28+,29-,30-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356926
PNG
(LUCIDENIC ACID A)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C27H38O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18,28H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,25+,26-,27+/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356922
PNG
(GANODERMANONDIOL)
Show SMILES C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23+,25-,28-,29-,30+/m1/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356925
PNG
(CHEMBL465487)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,19+,25+,26-,27+/m1/s1
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n/an/a 2.59E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356918
PNG
(GANODEROL B)
Show SMILES C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+/t21-,22-,25+,26+,28-,29-,30+/m1/s1
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n/an/a 2.68E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356914
PNG
(METHYL GANODERATE A)
Show SMILES COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-20,22,24,33,36H,9-15H2,1-8H3/t16-,17?,19-,20+,22+,24+,29+,30-,31+/m1/s1
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n/an/a 3.03E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356924
PNG
(CHEMBL1915764)
Show SMILES C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
Show InChI InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356924
PNG
(CHEMBL1915764)
Show SMILES C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
Show InChI InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1
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n/an/a 1.56E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356925
PNG
(CHEMBL465487)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,19+,25+,26-,27+/m1/s1
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n/an/a 1.88E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356926
PNG
(LUCIDENIC ACID A)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C27H38O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18,28H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,25+,26-,27+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356915
PNG
(GANODERIC ACID B)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,22+,28+,29-,30+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356917
PNG
(GANOLUCIDIC ACID A)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
Show InChI InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22+,24+,28+,29-,30-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356923
PNG
(CHEMBL1915763)
Show SMILES C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356920
PNG
(CHEMBL1915761)
Show SMILES C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356913
PNG
(CHEMBL1915759)
Show SMILES CCCCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
Show InChI InChI=1S/C36H52O9/c1-10-11-14-44-32(43)20(3)16-22(38)15-19(2)23-17-27(41)36(9)28-24(39)18-25-33(5,6)26(40)12-13-34(25,7)29(28)30(42)31(35(23,36)8)45-21(4)37/h19-20,23,25-26,31,40H,10-18H2,1-9H3/t19-,20?,23-,25+,26+,31-,34+,35+,36+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356919
PNG
(CHEMBL1915760)
Show SMILES C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24-25,31H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24+,25+,28-,29-,30+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356918
PNG
(GANODEROL B)
Show SMILES C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+/t21-,22-,25+,26+,28-,29-,30+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356921
PNG
(CHEMBL1915762)
Show SMILES C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23-25,31-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23+,24+,25+,28-,29-,30+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356928
PNG
(CHEMBL1915765)
Show SMILES CCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C31H50O5/c1-8-9-16-36-25(35)11-10-19(2)20-12-15-30(6)27-21(32)17-23-28(3,4)24(34)13-14-29(23,5)26(27)22(33)18-31(20,30)7/h19-21,23-24,32,34H,8-18H2,1-7H3/t19-,20-,21+,23+,24+,29+,30+,31-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356922
PNG
(GANODERMANONDIOL)
Show SMILES C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23+,25-,28-,29-,30+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356927
PNG
(CHEMBL512830)
Show SMILES COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
Show InChI InChI=1S/C30H42O8/c1-15(9-10-22(35)37-8)17-13-21(34)30(7)23-18(32)14-19-27(3,4)20(33)11-12-28(19,5)24(23)25(36)26(29(17,30)6)38-16(2)31/h15,17,19-20,26,33H,9-14H2,1-8H3/t15-,17-,19+,20+,26-,28+,29+,30+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356916
PNG
(CHEMBL465514)
Show SMILES C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
Show InChI InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,21+,28+,29-,30+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356914
PNG
(METHYL GANODERATE A)
Show SMILES COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-20,22,24,33,36H,9-15H2,1-8H3/t16-,17?,19-,20+,22+,24+,29+,30-,31+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356929
PNG
(CHEMBL1915766)
Show SMILES CCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C31H48O5/c1-8-9-16-36-25(35)11-10-19(2)20-12-15-30(6)27-21(32)17-23-28(3,4)24(34)13-14-29(23,5)26(27)22(33)18-31(20,30)7/h19-21,23,32H,8-18H2,1-7H3/t19-,20-,21+,23+,29+,30+,31-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356912
PNG
(CHEMBL1915758)
Show SMILES COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@@H]2OC(C)(C)O[C@H]3C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C4=C3[C@@]2(C)[C@]1(C)CC4=O
Show InChI InChI=1S/C34H50O7/c1-18(13-20(35)14-19(2)29(38)39-10)21-15-26-34(9)28-23(40-31(5,6)41-26)16-24-30(3,4)25(37)11-12-32(24,7)27(28)22(36)17-33(21,34)8/h18-19,21,23-24,26H,11-17H2,1-10H3/t18-,19-,21-,23+,24+,26+,32+,33-,34+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%