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Compile Data Set for Download or QSAR

Found 183 hits Enz. Inhib. hit(s) with all data for entry = 50045258   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50053435
PNG
(CHEMBL3323035)
Show SMILES C(COc1ccc2N=C3CCCN3Cc2c1)CN1CCCCC1
Show InChI InChI=1S/C19H27N3O/c1-2-9-21(10-3-1)11-5-13-23-17-7-8-18-16(14-17)15-22-12-4-6-19(22)20-18/h7-8,14H,1-6,9-13,15H2
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76n/an/an/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human H3 receptor


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(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 3.70n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholinesterase (BuChE)


(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 3.70n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053433
PNG
(CHEMBL3323037)
Show SMILES O=c1n2Cc3ccccc3-c2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C24H27N3O2/c28-24-21-16-19(29-15-7-14-26-12-5-1-2-6-13-26)10-11-22(21)25-23-20-9-4-3-8-18(20)17-27(23)24/h3-4,8-11,16H,1-2,5-7,12-15,17H2
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n/an/a 5n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053433
PNG
(CHEMBL3323037)
Show SMILES O=c1n2Cc3ccccc3-c2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C24H27N3O2/c28-24-21-16-19(29-15-7-14-26-12-5-1-2-6-13-26)10-11-22(21)25-23-20-9-4-3-8-18(20)17-27(23)24/h3-4,8-11,16H,1-2,5-7,12-15,17H2
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n/an/a 5n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053426
PNG
(CHEMBL3323042)
Show SMILES O=c1n2CCc3ccccc3-c2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C24H27N3O2/c28-24-21-17-19(29-16-6-14-26-12-4-1-5-13-26)9-10-22(21)25-23-20-8-3-2-7-18(20)11-15-27(23)24/h2-3,7-10,17H,1,4-6,11-16H2
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n/an/a 5.5n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053426
PNG
(CHEMBL3323042)
Show SMILES O=c1n2CCc3ccccc3-c2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C24H27N3O2/c28-24-21-17-19(29-16-6-14-26-12-4-1-5-13-26)9-10-22(21)25-23-20-8-3-2-7-18(20)11-15-27(23)24/h2-3,7-10,17H,1,4-6,11-16H2
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n/an/a 5.5n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053434
PNG
(CHEMBL3323036)
Show SMILES O=c1n2Cc3ccccc3-c2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C23H25N3O2/c27-23-20-15-18(28-14-6-13-25-11-4-1-5-12-25)9-10-21(20)24-22-19-8-3-2-7-17(19)16-26(22)23/h2-3,7-10,15H,1,4-6,11-14,16H2
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n/an/a 6.90n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053434
PNG
(CHEMBL3323036)
Show SMILES O=c1n2Cc3ccccc3-c2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C23H25N3O2/c27-23-20-15-18(28-14-6-13-25-11-4-1-5-12-25)9-10-21(20)24-22-19-8-3-2-7-17(19)16-26(22)23/h2-3,7-10,15H,1,4-6,11-14,16H2
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n/an/a 6.90n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053429
PNG
(CHEMBL3323039)
Show SMILES CCN(CC)CCCOc1ccc2nc3-c4ccccc4Cn3c(=O)c2c1
Show InChI InChI=1S/C22H25N3O2/c1-3-24(4-2)12-7-13-27-17-10-11-20-19(14-17)22(26)25-15-16-8-5-6-9-18(16)21(25)23-20/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053429
PNG
(CHEMBL3323039)
Show SMILES CCN(CC)CCCOc1ccc2nc3-c4ccccc4Cn3c(=O)c2c1
Show InChI InChI=1S/C22H25N3O2/c1-3-24(4-2)12-7-13-27-17-10-11-20-19(14-17)22(26)25-15-16-8-5-6-9-18(16)21(25)23-20/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053425
PNG
(CHEMBL3323020)
Show SMILES O=c1n2CCc3ccccc3-c2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C25H29N3O2/c29-25-22-18-20(30-17-7-15-27-13-5-1-2-6-14-27)10-11-23(22)26-24-21-9-4-3-8-19(21)12-16-28(24)25/h3-4,8-11,18H,1-2,5-7,12-17H2
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n/an/a 13n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053425
PNG
(CHEMBL3323020)
Show SMILES O=c1n2CCc3ccccc3-c2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C25H29N3O2/c29-25-22-18-20(30-17-7-15-27-13-5-1-2-6-14-27)10-11-23(22)26-24-21-9-4-3-8-19(21)12-16-28(24)25/h3-4,8-11,18H,1-2,5-7,12-17H2
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n/an/a 13n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053431
PNG
(CHEMBL3323038)
Show SMILES O=c1n2Cc3ccccc3-c2nc2ccc(OCCCN3CCCC3)cc12
Show InChI InChI=1S/C22H23N3O2/c26-22-19-14-17(27-13-5-12-24-10-3-4-11-24)8-9-20(19)23-21-18-7-2-1-6-16(18)15-25(21)22/h1-2,6-9,14H,3-5,10-13,15H2
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n/an/a 16n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053431
PNG
(CHEMBL3323038)
Show SMILES O=c1n2Cc3ccccc3-c2nc2ccc(OCCCN3CCCC3)cc12
Show InChI InChI=1S/C22H23N3O2/c26-22-19-14-17(27-13-5-12-24-10-3-4-11-24)8-9-20(19)23-21-18-7-2-1-6-16(18)15-25(21)22/h1-2,6-9,14H,3-5,10-13,15H2
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n/an/a 16n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
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 24n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
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 24n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053439
PNG
(CHEMBL3323059)
Show SMILES O=c1n2CCCCc2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C20H27N3O2/c24-20-17-15-16(25-14-6-12-22-10-3-1-4-11-22)8-9-18(17)21-19-7-2-5-13-23(19)20/h8-9,15H,1-7,10-14H2
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n/an/a 33n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053439
PNG
(CHEMBL3323059)
Show SMILES O=c1n2CCCCc2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C20H27N3O2/c24-20-17-15-16(25-14-6-12-22-10-3-1-4-11-22)8-9-18(17)21-19-7-2-5-13-23(19)20/h8-9,15H,1-7,10-14H2
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n/an/a 33n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50053435
PNG
(CHEMBL3323035)
Show SMILES C(COc1ccc2N=C3CCCN3Cc2c1)CN1CCCCC1
Show InChI InChI=1S/C19H27N3O/c1-2-9-21(10-3-1)11-5-13-23-17-7-8-18-16(14-17)15-22-12-4-6-19(22)20-18/h7-8,14H,1-6,9-13,15H2
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n/an/a 34n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053453
PNG
(CHEMBL3323066)
Show SMILES O=c1n2CCCCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C22H31N3O2/c26-22-19-17-18(27-16-8-14-24-12-5-1-2-6-13-24)10-11-20(19)23-21-9-4-3-7-15-25(21)22/h10-11,17H,1-9,12-16H2
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n/an/a 39n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053453
PNG
(CHEMBL3323066)
Show SMILES O=c1n2CCCCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C22H31N3O2/c26-22-19-17-18(27-16-8-14-24-12-5-1-2-6-13-24)10-11-20(19)23-21-9-4-3-7-15-25(21)22/h10-11,17H,1-9,12-16H2
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n/an/a 39n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053437
PNG
(CHEMBL3323065)
Show SMILES O=c1n2CCCCCc2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C21H29N3O2/c25-21-18-16-17(26-15-7-13-23-11-4-2-5-12-23)9-10-19(18)22-20-8-3-1-6-14-24(20)21/h9-10,16H,1-8,11-15H2
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n/an/a 43n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053438
PNG
(CHEMBL3323062)
Show SMILES CCN(CC)CCCOc1ccc2nc3CCCCn3c(=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-21(4-2)11-7-13-24-15-9-10-17-16(14-15)19(23)22-12-6-5-8-18(22)20-17/h9-10,14H,3-8,11-13H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053437
PNG
(CHEMBL3323065)
Show SMILES O=c1n2CCCCCc2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C21H29N3O2/c25-21-18-16-17(26-15-7-13-23-11-4-2-5-12-23)9-10-19(18)22-20-8-3-1-6-14-24(20)21/h9-10,16H,1-8,11-15H2
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n/an/a 43n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053438
PNG
(CHEMBL3323062)
Show SMILES CCN(CC)CCCOc1ccc2nc3CCCCn3c(=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-21(4-2)11-7-13-24-15-9-10-17-16(14-15)19(23)22-12-6-5-8-18(22)20-17/h9-10,14H,3-8,11-13H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053422
PNG
(CHEMBL3323043)
Show SMILES CCN(CC)CCCOc1ccc2nc3-c4ccccc4CCn3c(=O)c2c1
Show InChI InChI=1S/C23H27N3O2/c1-3-25(4-2)13-7-15-28-18-10-11-21-20(16-18)23(27)26-14-12-17-8-5-6-9-19(17)22(26)24-21/h5-6,8-11,16H,3-4,7,12-15H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053422
PNG
(CHEMBL3323043)
Show SMILES CCN(CC)CCCOc1ccc2nc3-c4ccccc4CCn3c(=O)c2c1
Show InChI InChI=1S/C23H27N3O2/c1-3-25(4-2)13-7-15-28-18-10-11-21-20(16-18)23(27)26-14-12-17-8-5-6-9-19(17)22(26)24-21/h5-6,8-11,16H,3-4,7,12-15H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053445
PNG
(CHEMBL3323054)
Show SMILES O=c1n2CCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C20H27N3O2/c24-20-17-15-16(8-9-18(17)21-19-7-5-13-23(19)20)25-14-6-12-22-10-3-1-2-4-11-22/h8-9,15H,1-7,10-14H2
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n/an/a 50n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053446
PNG
(CHEMBL3323055)
Show SMILES O=c1n2CCCc2nc2ccc(OCCCN3CCCC3)cc12
Show InChI InChI=1S/C18H23N3O2/c22-18-15-13-14(23-12-4-10-20-8-1-2-9-20)6-7-16(15)19-17-5-3-11-21(17)18/h6-7,13H,1-5,8-12H2
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n/an/a 50n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053446
PNG
(CHEMBL3323055)
Show SMILES O=c1n2CCCc2nc2ccc(OCCCN3CCCC3)cc12
Show InChI InChI=1S/C18H23N3O2/c22-18-15-13-14(23-12-4-10-20-8-1-2-9-20)6-7-16(15)19-17-5-3-11-21(17)18/h6-7,13H,1-5,8-12H2
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n/an/a 50n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053445
PNG
(CHEMBL3323054)
Show SMILES O=c1n2CCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C20H27N3O2/c24-20-17-15-16(8-9-18(17)21-19-7-5-13-23(19)20)25-14-6-12-22-10-3-1-2-4-11-22/h8-9,15H,1-7,10-14H2
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n/an/a 50n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053436
PNG
(CHEMBL3323068)
Show SMILES CCN(CC)CCCOc1ccc2nc3CCCCCn3c(=O)c2c1
Show InChI InChI=1S/C20H29N3O2/c1-3-22(4-2)12-8-14-25-16-10-11-18-17(15-16)20(24)23-13-7-5-6-9-19(23)21-18/h10-11,15H,3-9,12-14H2,1-2H3
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n/an/a 51n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053436
PNG
(CHEMBL3323068)
Show SMILES CCN(CC)CCCOc1ccc2nc3CCCCCn3c(=O)c2c1
Show InChI InChI=1S/C20H29N3O2/c1-3-22(4-2)12-8-14-25-16-10-11-18-17(15-16)20(24)23-13-7-5-6-9-19(23)21-18/h10-11,15H,3-9,12-14H2,1-2H3
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n/an/a 51n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053569
PNG
(CHEMBL3323047)
Show SMILES O=c1n2CCCc3ccccc3-c2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C26H31N3O2/c30-26-23-19-21(31-18-8-16-28-14-5-1-2-6-15-28)12-13-24(23)27-25-22-11-4-3-9-20(22)10-7-17-29(25)26/h3-4,9,11-13,19H,1-2,5-8,10,14-18H2
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n/an/a 53n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053569
PNG
(CHEMBL3323047)
Show SMILES O=c1n2CCCc3ccccc3-c2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C26H31N3O2/c30-26-23-19-21(31-18-8-16-28-14-5-1-2-6-15-28)12-13-24(23)27-25-22-11-4-3-9-20(22)10-7-17-29(25)26/h3-4,9,11-13,19H,1-2,5-8,10,14-18H2
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n/an/a 53n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053419
PNG
(CHEMBL3323046)
Show SMILES O=c1n2CCCc3ccccc3-c2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C25H29N3O2/c29-25-22-18-20(30-17-7-15-27-13-4-1-5-14-27)11-12-23(22)26-24-21-10-3-2-8-19(21)9-6-16-28(24)25/h2-3,8,10-12,18H,1,4-7,9,13-17H2
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n/an/a 57n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053419
PNG
(CHEMBL3323046)
Show SMILES O=c1n2CCCc3ccccc3-c2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C25H29N3O2/c29-25-22-18-20(30-17-7-15-27-13-4-1-5-14-27)11-12-23(22)26-24-21-10-3-2-8-19(21)9-6-16-28(24)25/h2-3,8,10-12,18H,1,4-7,9,13-17H2
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n/an/a 57n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053449
PNG
(CHEMBL3323060)
Show SMILES O=c1n2CCCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C21H29N3O2/c25-21-18-16-17(26-15-7-13-23-11-4-1-2-5-12-23)9-10-19(18)22-20-8-3-6-14-24(20)21/h9-10,16H,1-8,11-15H2
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n/an/a 58n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053449
PNG
(CHEMBL3323060)
Show SMILES O=c1n2CCCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C21H29N3O2/c25-21-18-16-17(26-15-7-13-23-11-4-1-2-5-12-23)9-10-19(18)22-20-8-3-6-14-24(20)21/h9-10,16H,1-8,11-15H2
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n/an/a 59n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053435
PNG
(CHEMBL3323035)
Show SMILES C(COc1ccc2N=C3CCCN3Cc2c1)CN1CCCCC1
Show InChI InChI=1S/C19H27N3O/c1-2-9-21(10-3-1)11-5-13-23-17-7-8-18-16(14-17)15-22-12-4-6-19(22)20-18/h7-8,14H,1-6,9-13,15H2
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n/an/a 67n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053441
PNG
(CHEMBL3323053)
Show SMILES O=c1n2CCCc2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C19H25N3O2/c23-19-16-14-15(24-13-5-11-21-9-2-1-3-10-21)7-8-17(16)20-18-6-4-12-22(18)19/h7-8,14H,1-6,9-13H2
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n/an/a 69n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053441
PNG
(CHEMBL3323053)
Show SMILES O=c1n2CCCc2nc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C19H25N3O2/c23-19-16-14-15(24-13-5-11-21-9-2-1-3-10-21)7-8-17(16)20-18-6-4-12-22(18)19/h7-8,14H,1-6,9-13H2
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n/an/a 69n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
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 72n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053443
PNG
(CHEMBL3323049)
Show SMILES CCN(CC)CCCOc1ccc2nc3-c4ccccc4CCCn3c(=O)c2c1
Show InChI InChI=1S/C24H29N3O2/c1-3-26(4-2)14-8-16-29-19-12-13-22-21(17-19)24(28)27-15-7-10-18-9-5-6-11-20(18)23(27)25-22/h5-6,9,11-13,17H,3-4,7-8,10,14-16H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053443
PNG
(CHEMBL3323049)
Show SMILES CCN(CC)CCCOc1ccc2nc3-c4ccccc4CCCn3c(=O)c2c1
Show InChI InChI=1S/C24H29N3O2/c1-3-26(4-2)14-8-16-29-19-12-13-22-21(17-19)24(28)27-15-7-10-18-9-5-6-11-20(18)23(27)25-22/h5-6,9,11-13,17H,3-4,7-8,10,14-16H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
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 72n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053423
PNG
(CHEMBL3323021)
Show SMILES O=c1n2CCc3ccccc3-c2nc2ccc(OCCCN3CCCC3)cc12
Show InChI InChI=1S/C23H25N3O2/c27-23-20-16-18(28-15-5-13-25-11-3-4-12-25)8-9-21(20)24-22-19-7-2-1-6-17(19)10-14-26(22)23/h1-2,6-9,16H,3-5,10-15H2
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n/an/a 91n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053423
PNG
(CHEMBL3323021)
Show SMILES O=c1n2CCc3ccccc3-c2nc2ccc(OCCCN3CCCC3)cc12
Show InChI InChI=1S/C23H25N3O2/c27-23-20-16-18(28-15-5-13-25-11-3-4-12-25)8-9-21(20)24-22-19-7-2-1-6-17(19)10-14-26(22)23/h1-2,6-9,16H,3-5,10-15H2
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n/an/a 91n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053440
PNG
(CHEMBL3323056)
Show SMILES CCN(CC)CCCOc1ccc2nc3CCCn3c(=O)c2c1
Show InChI InChI=1S/C18H25N3O2/c1-3-20(4-2)10-6-12-23-14-8-9-16-15(13-14)18(22)21-11-5-7-17(21)19-16/h8-9,13H,3-7,10-12H2,1-2H3
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n/an/a 101n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
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