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30 similar compounds to monomer 50119796

Compile data set for download or QSAR
Wt: 354.5
BDBM48758
Wt: 320.4
BDBM53974
Purchase
Wt: 236.3
BDBM59060
Wt: 222.3
BDBM59061
Wt: 480.2
BDBM50005171
Wt: 494.3
BDBM50005119
Purchase
Wt: 508.3
BDBM50005115
Wt: 522.3
BDBM50005116
Wt: 466.2
BDBM50005179
Wt: 536.3
BDBM50005114
Wt: 370.5
BDBM50119786
Wt: 370.5
BDBM50119787
Wt: 426.6
BDBM50119789
Wt: 398.5
BDBM50119797
Wt: 412.6
BDBM50119799
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 52 hits for monomerid = 48758,53974,59060,59061,50005171,50005119,50005115,50005116,50005179,50005114,50119786,50119787,50119789,50119797,50119799   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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10n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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20n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50119797
PNG
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2
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40n/an/an/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50119797
PNG
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2
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60n/an/an/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005115
PNG
(CHEMBL3093802)
Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2
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400n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005115
PNG
(CHEMBL3093802)
Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2
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400n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50119786
PNG
(1,8-di(2-isoquinoliniumyl)octane; with diiodide io...)
Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2
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620n/an/an/an/an/an/an/an/a



University of Defence

Curated by ChEMBL


Assay Description
Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 811-8 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.011
BindingDB Entry DOI: 10.7270/Q2PR7W8D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50119786
PNG
(1,8-di(2-isoquinoliniumyl)octane; with diiodide io...)
Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2
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980n/an/an/an/an/an/an/an/a



University of Defence

Curated by ChEMBL


Assay Description
Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 811-8 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.011
BindingDB Entry DOI: 10.7270/Q2PR7W8D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50119789
PNG
(1,1'-(dodecane-1,12-diyl)diquinolinium bromide | 1...)
Show SMILES C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C30H38N2/c1(3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31)2-4-6-8-14-24-32-26-16-20-28-18-10-12-22-30(28)32/h9-12,15-22,25-26H,1-8,13-14,23-24H2/q+2
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1.61E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat br...


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50119787
PNG
(1,1''-(octane-1,8-diyl)diquinolinium iodide | 1,8-...)
Show SMILES C(CCCC[n+]1cccc2ccccc12)CCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C26H30N2/c1(3-9-19-27-21-11-15-23-13-5-7-17-25(23)27)2-4-10-20-28-22-12-16-24-14-6-8-18-26(24)28/h5-8,11-18,21-22H,1-4,9-10,19-20H2/q+2
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2.39E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat br...


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50119799
PNG
(1,11-di(1-quinoliniumyl)undecane; with dibromide i...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30)3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31/h8-11,14-21,24-25H,1-7,12-13,22-23H2/q+2
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2.58E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat br...


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50119797
PNG
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2
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7.81E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat br...


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50119786
PNG
(1,8-di(2-isoquinoliniumyl)octane; with diiodide io...)
Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2
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1.17E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat br...


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50119799
PNG
(1,11-di(1-quinoliniumyl)undecane; with dibromide i...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30)3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31/h8-11,14-21,24-25H,1-7,12-13,22-23H2/q+2
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3.78E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50119786
PNG
(1,8-di(2-isoquinoliniumyl)octane; with diiodide io...)
Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2
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6.55E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50119789
PNG
(1,1'-(dodecane-1,12-diyl)diquinolinium bromide | 1...)
Show SMILES C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C30H38N2/c1(3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31)2-4-6-8-14-24-32-26-16-20-28-18-10-12-22-30(28)32/h9-12,15-22,25-26H,1-8,13-14,23-24H2/q+2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50119797
PNG
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50119787
PNG
(1,1''-(octane-1,8-diyl)diquinolinium iodide | 1,8-...)
Show SMILES C(CCCC[n+]1cccc2ccccc12)CCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C26H30N2/c1(3-9-19-27-21-11-15-23-13-5-7-17-25(23)27)2-4-10-20-28-22-12-16-24-14-6-8-18-26(24)28/h5-8,11-18,21-22H,1-4,9-10,19-20H2/q+2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes


Bioorg Med Chem Lett 12: 3067-71 (2002)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005116
PNG
(CHEMBL3093803)
Show SMILES C(CCCCC[n+]1ccccc1)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-19-26-20-12-8-13-21-26)3-5-7-14-22-27-23-15-17-24-16-9-10-18-25(24)27;;/h8-10,12-13,15-18,20-21,23H,1-7,11,14,19,22H2;2*1H/q+2;;/p-2
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n/an/a 17n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005115
PNG
(CHEMBL3093802)
Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2
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n/an/a 5n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005119
PNG
(CHEMBL3093801)
Show SMILES C(CCCC[n+]1ccccc1)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-17-24-18-10-6-11-19-24)3-5-12-20-25-21-13-15-22-14-7-8-16-23(22)25;;/h6-8,10-11,13-16,18-19,21H,1-5,9,12,17,20H2;2*1H/q+2;;/p-2
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n/an/a 120n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005171
PNG
(CHEMBL3093800)
Show SMILES [Br-].[Br-].C(CCCC[n+]1cccc2ccccc12)CCC[n+]1ccccc1
Show InChI InChI=1S/C22H28N2.2BrH/c1(3-8-16-23-17-9-5-10-18-23)2-4-11-19-24-20-12-14-21-13-6-7-15-22(21)24;;/h5-7,9-10,12-15,17-18,20H,1-4,8,11,16,19H2;2*1H/q+2;;/p-2
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n/an/a 270n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005179
PNG
(CHEMBL3093799)
Show SMILES C(CCC[n+]1ccccc1)CCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-15-22-16-8-4-9-17-22)3-10-18-23-19-11-13-20-12-5-6-14-21(20)23;;/h4-6,8-9,11-14,16-17,19H,1-3,7,10,15,18H2;2*1H/q+2;;/p-2
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n/an/a 540n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50119786
PNG
(1,8-di(2-isoquinoliniumyl)octane; with diiodide io...)
Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2
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n/an/a 5n/an/an/an/an/an/a



University of Defence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 811-8 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.011
BindingDB Entry DOI: 10.7270/Q2PR7W8D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50119787
PNG
(1,1''-(octane-1,8-diyl)diquinolinium iodide | 1,8-...)
Show SMILES C(CCCC[n+]1cccc2ccccc12)CCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C26H30N2/c1(3-9-19-27-21-11-15-23-13-5-7-17-25(23)27)2-4-10-20-28-22-12-16-24-14-6-8-18-26(24)28/h5-8,11-18,21-22H,1-4,9-10,19-20H2/q+2
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n/an/a 80n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte recombinant AChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50119797
PNG
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2
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n/an/a 1n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte recombinant AChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50119799
PNG
(1,11-di(1-quinoliniumyl)undecane; with dibromide i...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30)3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31/h8-11,14-21,24-25H,1-7,12-13,22-23H2/q+2
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n/an/a 10n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte recombinant AChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50119789
PNG
(1,1'-(dodecane-1,12-diyl)diquinolinium bromide | 1...)
Show SMILES C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C30H38N2/c1(3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31)2-4-6-8-14-24-32-26-16-20-28-18-10-12-22-30(28)32/h9-12,15-22,25-26H,1-8,13-14,23-24H2/q+2
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n/an/a 20n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte recombinant AChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50119787
PNG
(1,1''-(octane-1,8-diyl)diquinolinium iodide | 1,8-...)
Show SMILES C(CCCC[n+]1cccc2ccccc12)CCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C26H30N2/c1(3-9-19-27-21-11-15-23-13-5-7-17-25(23)27)2-4-10-20-28-22-12-16-24-14-6-8-18-26(24)28/h5-8,11-18,21-22H,1-4,9-10,19-20H2/q+2
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n/an/a 700n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50119797
PNG
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2
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n/an/a 100n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50119799
PNG
(1,11-di(1-quinoliniumyl)undecane; with dibromide i...)
Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30)3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31/h8-11,14-21,24-25H,1-7,12-13,22-23H2/q+2
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n/an/a 500n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50119789
PNG
(1,1'-(dodecane-1,12-diyl)diquinolinium bromide | 1...)
Show SMILES C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C30H38N2/c1(3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31)2-4-6-8-14-24-32-26-16-20-28-18-10-12-22-30(28)32/h9-12,15-22,25-26H,1-8,13-14,23-24H2/q+2
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n/an/a 400n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50119786
PNG
(1,8-di(2-isoquinoliniumyl)octane; with diiodide io...)
Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2
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n/an/a 400n/an/an/an/an/an/a



University of Defence

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 811-8 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.011
BindingDB Entry DOI: 10.7270/Q2PR7W8D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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n/an/a 4.70n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50005179
PNG
(CHEMBL3093799)
Show SMILES C(CCC[n+]1ccccc1)CCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-15-22-16-8-4-9-17-22)3-10-18-23-19-11-13-20-12-5-6-14-21(20)23;;/h4-6,8-9,11-14,16-17,19H,1-3,7,10,15,18H2;2*1H/q+2;;/p-2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50005171
PNG
(CHEMBL3093800)
Show SMILES [Br-].[Br-].C(CCCC[n+]1cccc2ccccc12)CCC[n+]1ccccc1
Show InChI InChI=1S/C22H28N2.2BrH/c1(3-8-16-23-17-9-5-10-18-23)2-4-11-19-24-20-12-14-21-13-6-7-15-22(21)24;;/h5-7,9-10,12-15,17-18,20H,1-4,8,11,16,19H2;2*1H/q+2;;/p-2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50005119
PNG
(CHEMBL3093801)
Show SMILES C(CCCC[n+]1ccccc1)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-17-24-18-10-6-11-19-24)3-5-12-20-25-21-13-15-22-14-7-8-16-23(22)25;;/h6-8,10-11,13-16,18-19,21H,1-5,9,12,17,20H2;2*1H/q+2;;/p-2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50005115
PNG
(CHEMBL3093802)
Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50005116
PNG
(CHEMBL3093803)
Show SMILES C(CCCCC[n+]1ccccc1)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-19-26-20-12-8-13-21-26)3-5-7-14-22-27-23-15-17-24-16-9-10-18-25(24)27;;/h8-10,12-13,15-18,20-21,23H,1-7,11,14,19,22H2;2*1H/q+2;;/p-2
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n/an/a 900n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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n/an/a 680n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM48758
PNG
(1-cetylquinolin-1-ium;iodide | 1-hexadecylquinolin...)
Show SMILES CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H40N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-26-23-18-20-24-19-15-16-21-25(24)26/h15-16,18-21,23H,2-14,17,22H2,1H3/q+1
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n/an/a 920n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM48758
PNG
(1-cetylquinolin-1-ium;iodide | 1-hexadecylquinolin...)
Show SMILES CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H40N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-26-23-18-20-24-19-15-16-21-25(24)26/h15-16,18-21,23H,2-14,17,22H2,1H3/q+1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM48758
PNG
(1-cetylquinolin-1-ium;iodide | 1-hexadecylquinolin...)
Show SMILES CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H40N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-26-23-18-20-24-19-15-16-21-25(24)26/h15-16,18-21,23H,2-14,17,22H2,1H3/q+1
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n/an/an/an/a>1.20E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM48758
PNG
(1-cetylquinolin-1-ium;iodide | 1-hexadecylquinolin...)
Show SMILES CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H40N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-26-23-18-20-24-19-15-16-21-25(24)26/h15-16,18-21,23H,2-14,17,22H2,1H3/q+1
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n/an/a 920n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM59061
PNG
(10-propylacridin-10-ium;iodide | MLS001174468 | SM...)
Show SMILES CCC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C16H16N/c1-2-11-17-15-9-5-3-7-13(15)12-14-8-4-6-10-16(14)17/h3-10,12H,2,11H2,1H3/q+1
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n/an/an/an/a 2.38E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM59060
PNG
(10-butylacridin-10-ium;iodide | MLS001174469 | SMR...)
Show SMILES CCCC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C17H18N/c1-2-3-12-18-16-10-6-4-8-14(16)13-15-9-5-7-11-17(15)18/h4-11,13H,2-3,12H2,1H3/q+1
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n/an/an/an/a 2.39E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53974
PNG
(4-decylbenzo[f]quinolin-4-ium;iodide | MLS00070936...)
Show SMILES CCCCCCCCCC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C23H30N/c1-2-3-4-5-6-7-8-11-18-24-19-12-15-22-21-14-10-9-13-20(21)16-17-23(22)24/h9-10,12-17,19H,2-8,11,18H2,1H3/q+1
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n/an/a 8.96E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM53974
PNG
(4-decylbenzo[f]quinolin-4-ium;iodide | MLS00070936...)
Show SMILES CCCCCCCCCC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C23H30N/c1-2-3-4-5-6-7-8-11-18-24-19-12-15-22-21-14-10-9-13-20(21)16-17-23(22)24/h9-10,12-17,19H,2-8,11,18H2,1H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM48758
PNG
(1-cetylquinolin-1-ium;iodide | 1-hexadecylquinolin...)
Show SMILES CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H40N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-26-23-18-20-24-19-15-16-21-25(24)26/h15-16,18-21,23H,2-14,17,22H2,1H3/q+1
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n/an/a 4.32E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM48758
PNG
(1-cetylquinolin-1-ium;iodide | 1-hexadecylquinolin...)
Show SMILES CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H40N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-26-23-18-20-24-19-15-16-21-25(24)26/h15-16,18-21,23H,2-14,17,22H2,1H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
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