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PubMed code 20158205

Compile data set for download or QSAR
Found 34 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
Cholinesterase


(Equus caballus (Horse))		BDBM50415462
PNG
(CHEMBL589384)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C36H52N6O3S/c1-42-23-12-15-28(27-42)34-36(41-46-40-34)45-26-14-25-44-24-13-20-33(43)37-21-10-4-2-3-5-11-22-38-35-29-16-6-8-18-31(29)39-32-19-9-7-17-30(32)35/h6,8,15-16,18H,2-5,7,9-14,17,19-27H2,1H3,(H,37,43)(H,38,39)
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n/an/a 5.01n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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 5.13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))		BDBM50415464
PNG
(CHEMBL589405)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C34H48N6O3S/c1-40-21-12-14-26(24-40)32-34(39-44-38-32)43-23-13-22-42-25-31(41)35-19-10-4-2-3-5-11-20-36-33-27-15-6-8-17-29(27)37-30-18-9-7-16-28(30)33/h6,8,14-15,17H,2-5,7,9-13,16,18-25H2,1H3,(H,35,41)(H,36,37)
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n/an/a 5.13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415465
PNG
(CHEMBL589409)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C33H46N6O3S/c1-39-20-10-12-25(24-39)31-33(38-43-37-31)42-23-11-22-41-21-9-6-17-30(40)34-18-7-8-19-35-32-26-13-2-4-15-28(26)36-29-16-5-3-14-27(29)32/h2,4,12-13,15H,3,5-11,14,16-24H2,1H3,(H,34,40)(H,35,36)
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n/an/a 5.89n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415461
PNG
(CHEMBL589352)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C37H54N6O3S/c1-43-24-14-16-29(28-43)35-37(42-47-41-35)46-27-15-26-45-25-13-10-21-34(44)38-22-11-4-2-3-5-12-23-39-36-30-17-6-8-19-32(30)40-33-20-9-7-18-31(33)36/h6,8,16-17,19H,2-5,7,9-15,18,20-28H2,1H3,(H,38,44)(H,39,40)
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n/an/a 5.89n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415461
PNG
(CHEMBL589352)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C37H54N6O3S/c1-43-24-14-16-29(28-43)35-37(42-47-41-35)46-27-15-26-45-25-13-10-21-34(44)38-22-11-4-2-3-5-12-23-39-36-30-17-6-8-19-32(30)40-33-20-9-7-18-31(33)36/h6,8,16-17,19H,2-5,7,9-15,18,20-28H2,1H3,(H,38,44)(H,39,40)
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n/an/a 6.17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415462
PNG
(CHEMBL589384)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C36H52N6O3S/c1-42-23-12-15-28(27-42)34-36(41-46-40-34)45-26-14-25-44-24-13-20-33(43)37-21-10-4-2-3-5-11-22-38-35-29-16-6-8-18-31(29)39-32-19-9-7-17-30(32)35/h6,8,15-16,18H,2-5,7,9-14,17,19-27H2,1H3,(H,37,43)(H,38,39)
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n/an/a 6.46n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415464
PNG
(CHEMBL589405)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C34H48N6O3S/c1-40-21-12-14-26(24-40)32-34(39-44-38-32)43-23-13-22-42-25-31(41)35-19-10-4-2-3-5-11-20-36-33-27-15-6-8-17-29(27)37-30-18-9-7-16-28(30)33/h6,8,14-15,17H,2-5,7,9-13,16,18-25H2,1H3,(H,35,41)(H,36,37)
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n/an/a 6.61n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415476
PNG
(CHEMBL589496)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C32H44N6O3S/c1-38-19-8-11-24(23-38)30-32(37-42-36-30)41-22-10-21-40-20-9-16-29(39)33-17-6-7-18-34-31-25-12-2-4-14-27(25)35-28-15-5-3-13-26(28)31/h2,4,11-12,14H,3,5-10,13,15-23H2,1H3,(H,33,39)(H,34,35)
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n/an/a 6.76n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415476
PNG
(CHEMBL589496)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C32H44N6O3S/c1-38-19-8-11-24(23-38)30-32(37-42-36-30)41-22-10-21-40-20-9-16-29(39)33-17-6-7-18-34-31-25-12-2-4-14-27(25)35-28-15-5-3-13-26(28)31/h2,4,11-12,14H,3,5-10,13,15-23H2,1H3,(H,33,39)(H,34,35)
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n/an/a 8.51n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415465
PNG
(CHEMBL589409)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C33H46N6O3S/c1-39-20-10-12-25(24-39)31-33(38-43-37-31)42-23-11-22-41-21-9-6-17-30(40)34-18-7-8-19-35-32-26-13-2-4-15-28(26)36-29-16-5-3-14-27(29)32/h2,4,12-13,15H,3,5-11,14,16-24H2,1H3,(H,34,40)(H,35,36)
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n/an/a 8.71n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415468
PNG
(CHEMBL590059)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C32H44N6O3S/c1-38-19-8-11-24(23-38)30-32(37-42-36-30)41-22-10-21-40-20-7-6-16-29(39)33-17-9-18-34-31-25-12-2-4-14-27(25)35-28-15-5-3-13-26(28)31/h2,4,11-12,14H,3,5-10,13,15-23H2,1H3,(H,33,39)(H,34,35)
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n/an/a 8.91n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415466
PNG
(CHEMBL589419)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C31H42N6O3S/c1-37-18-8-10-23(22-37)29-31(36-41-35-29)40-20-9-19-39-21-15-28(38)32-16-6-7-17-33-30-24-11-2-4-13-26(24)34-27-14-5-3-12-25(27)30/h2,4,10-11,13H,3,5-9,12,14-22H2,1H3,(H,32,38)(H,33,34)
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n/an/a 9.12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415471
PNG
(CHEMBL599652)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C29H38N6O3S/c1-35-16-6-9-21(19-35)27-29(34-39-33-27)38-18-8-17-37-20-26(36)30-14-7-15-31-28-22-10-2-4-12-24(22)32-25-13-5-3-11-23(25)28/h2,4,9-10,12H,3,5-8,11,13-20H2,1H3,(H,30,36)(H,31,32)
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n/an/a 9.77n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415469
PNG
(CHEMBL590055)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C31H42N6O3S/c1-37-18-6-10-23(22-37)29-31(36-41-35-29)40-21-9-20-39-19-7-15-28(38)32-16-8-17-33-30-24-11-2-4-13-26(24)34-27-14-5-3-12-25(27)30/h2,4,10-11,13H,3,5-9,12,14-22H2,1H3,(H,32,38)(H,33,34)
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n/an/a 10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415468
PNG
(CHEMBL590059)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C32H44N6O3S/c1-38-19-8-11-24(23-38)30-32(37-42-36-30)41-22-10-21-40-20-7-6-16-29(39)33-17-9-18-34-31-25-12-2-4-14-27(25)35-28-15-5-3-13-26(28)31/h2,4,11-12,14H,3,5-10,13,15-23H2,1H3,(H,33,39)(H,34,35)
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n/an/a 10.2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415470
PNG
(CHEMBL599243)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C30H40N6O3S/c1-36-17-6-9-22(21-36)28-30(35-40-34-28)39-19-8-18-38-20-14-27(37)31-15-7-16-32-29-23-10-2-4-12-25(23)33-26-13-5-3-11-24(26)29/h2,4,9-10,12H,3,5-8,11,13-21H2,1H3,(H,31,37)(H,32,33)
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n/an/a 10.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415469
PNG
(CHEMBL590055)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C31H42N6O3S/c1-37-18-6-10-23(22-37)29-31(36-41-35-29)40-21-9-20-39-19-7-15-28(38)32-16-8-17-33-30-24-11-2-4-13-26(24)34-27-14-5-3-12-25(27)30/h2,4,10-11,13H,3,5-9,12,14-22H2,1H3,(H,32,38)(H,33,34)
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n/an/a 10.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415467
PNG
(CHEMBL597801)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C30H40N6O3S/c1-36-17-8-10-22(20-36)28-30(35-40-34-28)39-19-9-18-38-21-27(37)31-15-6-7-16-32-29-23-11-2-4-13-25(23)33-26-14-5-3-12-24(26)29/h2,4,10-11,13H,3,5-9,12,14-21H2,1H3,(H,31,37)(H,32,33)
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n/an/a 10.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415466
PNG
(CHEMBL589419)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C31H42N6O3S/c1-37-18-8-10-23(22-37)29-31(36-41-35-29)40-20-9-19-39-21-15-28(38)32-16-6-7-17-33-30-24-11-2-4-13-26(24)34-27-14-5-3-12-25(27)30/h2,4,10-11,13H,3,5-9,12,14-22H2,1H3,(H,32,38)(H,33,34)
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n/an/a 10.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415467
PNG
(CHEMBL597801)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C30H40N6O3S/c1-36-17-8-10-22(20-36)28-30(35-40-34-28)39-19-9-18-38-21-27(37)31-15-6-7-16-32-29-23-11-2-4-13-25(23)33-26-14-5-3-12-24(26)29/h2,4,10-11,13H,3,5-9,12,14-21H2,1H3,(H,31,37)(H,32,33)
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n/an/a 12.0n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415473
PNG
(CHEMBL599651)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCNCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C30H42N6OS/c1-36-20-11-12-23(22-36)28-30(35-38-34-28)37-21-10-9-18-31-17-7-2-8-19-32-29-24-13-3-5-15-26(24)33-27-16-6-4-14-25(27)29/h3,5,12-13,15,31H,2,4,6-11,14,16-22H2,1H3,(H,32,33)
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n/an/a 12.3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415463
PNG
(CHEMBL589495)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C35H50N6O3S/c1-41-22-12-14-27(26-41)33-35(40-45-39-33)44-24-13-23-43-25-19-32(42)36-20-10-4-2-3-5-11-21-37-34-28-15-6-8-17-30(28)38-31-18-9-7-16-29(31)34/h6,8,14-15,17H,2-5,7,9-13,16,18-26H2,1H3,(H,36,42)(H,37,38)
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n/an/a 13.2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415472
PNG
(CHEMBL589978)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCNCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C33H48N6OS/c1-39-23-14-15-26(25-39)31-33(38-41-37-31)40-24-13-12-21-34-20-10-4-2-3-5-11-22-35-32-27-16-6-8-18-29(27)36-30-19-9-7-17-28(30)32/h6,8,15-16,18,34H,2-5,7,9-14,17,19-25H2,1H3,(H,35,36)
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n/an/a 13.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415470
PNG
(CHEMBL599243)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C30H40N6O3S/c1-36-17-6-9-22(21-36)28-30(35-40-34-28)39-19-8-18-38-20-14-27(37)31-15-7-16-32-29-23-10-2-4-12-25(23)33-26-13-5-3-11-24(26)29/h2,4,9-10,12H,3,5-8,11,13-21H2,1H3,(H,31,37)(H,32,33)
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n/an/a 13.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415471
PNG
(CHEMBL599652)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C29H38N6O3S/c1-35-16-6-9-21(19-35)27-29(34-39-33-27)38-18-8-17-37-20-26(36)30-14-7-15-31-28-22-10-2-4-12-24(22)32-25-13-5-3-11-23(25)28/h2,4,9-10,12H,3,5-8,11,13-20H2,1H3,(H,30,36)(H,31,32)
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n/an/a 14.8n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415474
PNG
(CHEMBL599650)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCNCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C29H40N6OS/c1-35-19-10-11-22(21-35)27-29(34-37-33-27)36-20-9-8-17-30-16-6-7-18-31-28-23-12-2-4-14-25(23)32-26-15-5-3-13-24(26)28/h2,4,11-12,14,30H,3,5-10,13,15-21H2,1H3,(H,31,32)
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n/an/a 16.2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415473
PNG
(CHEMBL599651)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCNCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C30H42N6OS/c1-36-20-11-12-23(22-36)28-30(35-38-34-28)37-21-10-9-18-31-17-7-2-8-19-32-29-24-13-3-5-15-26(24)33-27-16-6-4-14-25(27)29/h3,5,12-13,15,31H,2,4,6-11,14,16-22H2,1H3,(H,32,33)
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n/an/a 21.9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415463
PNG
(CHEMBL589495)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C35H50N6O3S/c1-41-22-12-14-27(26-41)33-35(40-45-39-33)44-24-13-23-43-25-19-32(42)36-20-10-4-2-3-5-11-21-37-34-28-15-6-8-17-30(28)38-31-18-9-7-16-29(31)34/h6,8,14-15,17H,2-5,7,9-13,16,18-26H2,1H3,(H,36,42)(H,37,38)
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n/an/a 22.9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415472
PNG
(CHEMBL589978)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCNCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C33H48N6OS/c1-39-23-14-15-26(25-39)31-33(38-41-37-31)40-24-13-12-21-34-20-10-4-2-3-5-11-22-35-32-27-16-6-8-18-29(27)36-30-19-9-7-17-28(30)32/h6,8,15-16,18,34H,2-5,7,9-14,17,19-25H2,1H3,(H,35,36)
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n/an/a 26.3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50415475
PNG
(CHEMBL597192)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCNCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C28H38N6OS/c1-34-18-8-10-21(20-34)26-28(33-36-32-26)35-19-7-6-15-29-16-9-17-30-27-22-11-2-4-13-24(22)31-25-14-5-3-12-23(25)27/h2,4,10-11,13,29H,3,5-9,12,14-20H2,1H3,(H,30,31)
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n/an/a 28.8n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BChE from equine serum by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415474
PNG
(CHEMBL599650)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCNCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C29H40N6OS/c1-35-19-10-11-22(21-35)27-29(34-37-33-27)36-20-9-8-17-30-16-6-7-18-31-28-23-12-2-4-14-25(23)32-26-15-5-3-13-24(26)28/h2,4,11-12,14,30H,3,5-10,13,15-21H2,1H3,(H,31,32)
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n/an/a 43.6n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		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 45.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50415475
PNG
(CHEMBL597192)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCNCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Show InChI InChI=1S/C28H38N6OS/c1-34-18-8-10-21(20-34)26-28(33-36-32-26)35-19-7-6-15-29-16-9-17-30-27-22-11-2-4-13-24(22)31-25-14-5-3-12-23(25)27/h2,4,10-11,13,29H,3,5-9,12,14-20H2,1H3,(H,30,31)
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n/an/a 63.1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Med Chem 53: 2094-103 (2010)


Article DOI: 10.1021/jm901616h
BindingDB Entry DOI: 10.7270/Q2KW5H8J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%