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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50035261   
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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)|
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
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 2.30n/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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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 450n/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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119805
PNG
(1,12-di(2-isoquinoliniumyl)dodecane; with dibromid...)
Show SMILES C(CCCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C30H38N2/c1(3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31)2-4-6-8-14-22-32-24-20-28-16-10-12-18-30(28)26-32/h9-12,15-20,23-26H,1-8,13-14,21-22H2/q+2
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 2.21E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119772
PNG
(1,1'-(nonane-1,9-diyl)diquinolinium bromide | 1,9-...)
Show SMILES C(CCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C27H32N2/c1(2-4-10-20-28-22-12-16-24-14-6-8-18-26(24)28)3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29/h6-9,12-19,22-23H,1-5,10-11,20-21H2/q+2
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 3.58E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50366799
PNG
(TUBOCURARINE | TUBOCURARINE CHLORIDE)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 |r|
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
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 4.79E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119776
PNG
(1,11-di(2-isoquinoliniumyl)undecane; with dibromid...)
Show SMILES C(CCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30)3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31/h8-11,14-19,22-25H,1-7,12-13,20-21H2/q+2
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 5.46E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119777
PNG
(1,9-di(2-isoquinoliniumyl)nonane; with dibromide i...)
Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C27H32N2/c1(2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28)3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29/h6-9,12-17,20-23H,1-5,10-11,18-19H2/q+2
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 5.95E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119780
PNG
(1,10-di(2-isoquinoliniumyl)decane; with diiodide i...)
Show SMILES C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C28H34N2/c1(3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29)2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30/h7-10,13-18,21-24H,1-6,11-12,19-20H2/q+2
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 7.25E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119796
PNG
(1,1'-(hexane-1,6-diyl)diquinolinium iodide | 1,6-d...)
Show SMILES C(CCC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12
Show InChI InChI=1S/C24H26N2/c1(7-17-25-19-9-13-21-11-3-5-15-23(21)25)2-8-18-26-20-10-14-22-12-4-6-16-24(22)26/h3-6,9-16,19-20H,1-2,7-8,17-18H2/q+2
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 1.33E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119803
PNG
(1,6-di(2-isoquinoliniumyl)hexane; with diiodide io...)
Show SMILES C(CCC[n+]1ccc2ccccc2c1)CC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C24H26N2/c1(7-15-25-17-13-21-9-3-5-11-23(21)19-25)2-8-16-26-18-14-22-10-4-6-12-24(22)20-26/h3-6,9-14,17-20H,1-2,7-8,15-16H2/q+2
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 1.60E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119801
PNG
((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...)
Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1
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 2.36E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119793
PNG
(1,1'-(dodecane-1,12-diyl)dipyridinium bromide | 1,...)
Show SMILES C(CCCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C22H34N2/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h9-10,13-16,19-22H,1-8,11-12,17-18H2/q+2
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 3.30E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119798
PNG
(1,11-bis(pyridinium)-undecane dibromide | 1,11-di(...)
Show SMILES C(CCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C21H32N2/c1(2-4-6-10-16-22-18-12-8-13-19-22)3-5-7-11-17-23-20-14-9-15-21-23/h8-9,12-15,18-21H,1-7,10-11,16-17H2/q+2
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 5.70E+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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119785
PNG
(1,1'-(octane-1,8-diyl)dipyridinium iodide | 1-[8-(...)
Show SMILES C(CCCC[n+]1ccccc1)CCC[n+]1ccccc1
Show InChI InChI=1S/C18H26N2/c1(3-7-13-19-15-9-5-10-16-19)2-4-8-14-20-17-11-6-12-18-20/h5-6,9-12,15-18H,1-4,7-8,13-14H2/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 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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119804
PNG
(1,6-di[3-(1-methyltetrahydro-1H-2-pyrrolyl)-1-pyri...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C26H40N4/c1-27-15-9-13-25(27)23-11-7-19-29(21-23)17-5-3-4-6-18-30-20-8-12-24(22-30)26-14-10-16-28(26)2/h7-8,11-12,19-22,25-26H,3-6,9-10,13-18H2,1-2H3/q+2/t25-,26-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119802
PNG
(1,1'-(undecane-1,11-diyl)bis(3-methylpyridinium)br...)
Show SMILES Cc1ccc[n+](CCCCCCCCCCC[n+]2cccc(C)c2)c1
Show InChI InChI=1S/C23H36N2/c1-22-14-12-18-24(20-22)16-10-8-6-4-3-5-7-9-11-17-25-19-13-15-23(2)21-25/h12-15,18-21H,3-11,16-17H2,1-2H3/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 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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119800
PNG
(1,8-di[3-(1-methyltetrahydro-1H-2-pyrrolyl)-1-pyri...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C28H44N4/c1-29-17-11-15-27(29)25-13-9-21-31(23-25)19-7-5-3-4-6-8-20-32-22-10-14-26(24-32)28-16-12-18-30(28)2/h9-10,13-14,21-24,27-28H,3-8,11-12,15-20H2,1-2H3/q+2/t27-,28-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119790
PNG
((S)-1,1'-(dodecane-1,12-diyl)bis(3-((S)-1-methylpy...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C32H52N4/c1-33-21-15-19-31(33)29-17-13-25-35(27-29)23-11-9-7-5-3-4-6-8-10-12-24-36-26-14-18-30(28-36)32-20-16-22-34(32)2/h13-14,17-18,25-28,31-32H,3-12,15-16,19-24H2,1-2H3/q+2/t31-,32-/m0/s1
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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 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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119781
PNG
(1,1'-(nonane-1,9-diyl)dipyridinium bromide | 1,9-b...)
Show SMILES C(CCCC[n+]1ccccc1)CCCC[n+]1ccccc1
Show InChI InChI=1S/C19H28N2/c1(2-4-8-14-20-16-10-6-11-17-20)3-5-9-15-21-18-12-7-13-19-21/h6-7,10-13,16-19H,1-5,8-9,14-15H2/q+2
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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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119794
PNG
(1,1'-(octane-1,8-diyl)bis(3-methylpyridinium)iodid...)
Show SMILES Cc1ccc[n+](CCCCCCCC[n+]2cccc(C)c2)c1
Show InChI InChI=1S/C20H30N2/c1-19-11-9-15-21(17-19)13-7-5-3-4-6-8-14-22-16-10-12-20(2)18-22/h9-12,15-18H,3-8,13-14H2,1-2H3/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 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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119788
PNG
(1,1'-(hexane-1,6-diyl)bis(3-methylpyridinium)iodid...)
Show SMILES Cc1ccc[n+](CCCCCC[n+]2cccc(C)c2)c1
Show InChI InChI=1S/C18H26N2/c1-17-9-7-13-19(15-17)11-5-3-4-6-12-20-14-8-10-18(2)16-20/h7-10,13-16H,3-6,11-12H2,1-2H3/q+2
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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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119783
PNG
(1,1''-(pentane-1,5-diyl)dipyridinium iodide | 1-(5...)
Show SMILES C(CC[n+]1ccccc1)CC[n+]1ccccc1
Show InChI InChI=1S/C15H20N2/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2/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 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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119791
PNG
(1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...)
Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
Show InChI InChI=1S/C20H35N2/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3/q+1/t20-/m0/s1
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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 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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119784
PNG
(1-[6-(1lambda~5~-pyridin-1-yl)hexyl]-1lambda~5~-py...)
Show SMILES C(CCC[n+]1ccccc1)CC[n+]1ccccc1
Show InChI InChI=1S/C16H22N2/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-4,7-10,13-16H,1-2,5-6,11-12H2/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 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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119782
PNG
(1,1''-(decane-1,10-diyl)bis(3-methylpyridinium)iod...)
Show SMILES Cc1ccc[n+](CCCCCCCCCC[n+]2cccc(C)c2)c1
Show InChI InChI=1S/C22H34N2/c1-21-13-11-17-23(19-21)15-9-7-5-3-4-6-8-10-16-24-18-12-14-22(2)20-24/h11-14,17-20H,3-10,15-16H2,1-2H3/q+2
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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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119779
PNG
(1,1'-(decane-1,10-diyl)dipyridinium iodide | 1,10-...)
Show SMILES C(CCCCC[n+]1ccccc1)CCCC[n+]1ccccc1
Show InChI InChI=1S/C20H30N2/c1(3-5-9-15-21-17-11-7-12-18-21)2-4-6-10-16-22-19-13-8-14-20-22/h7-8,11-14,17-20H,1-6,9-10,15-16H2/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 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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50038416
PNG
((1,6-trimethyl ammonium)hexane; dibromide | CHEMBL...)
Show SMILES C[N+](C)(C)CCCCCC[N+](C)(C)C
Show InChI InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/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 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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119771
PNG
(1,9-di[3-(1-methyltetrahydro-1H-2-pyrrolyl)-1-pyri...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C29H46N4/c1-30-18-12-16-28(30)26-14-10-22-32(24-26)20-8-6-4-3-5-7-9-21-33-23-11-15-27(25-33)29-17-13-19-31(29)2/h10-11,14-15,22-25,28-29H,3-9,12-13,16-21H2,1-2H3/q+2/t28-,29-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119775
PNG
(1,10-di[3-(1-methyltetrahydro-1H-2-pyrrolyl)-1-pyr...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C30H48N4/c1-31-19-13-17-29(31)27-15-11-23-33(25-27)21-9-7-5-3-4-6-8-10-22-34-24-12-16-28(26-34)30-18-14-20-32(30)2/h11-12,15-16,23-26,29-30H,3-10,13-14,17-22H2,1-2H3/q+2/t29-,30-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50060582
PNG
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)
Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
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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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119792
PNG
(1,11-di[3-(1-methyltetrahydro-1H-2-pyrrolyl)-1-pyr...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C31H50N4/c1-32-20-14-18-30(32)28-16-12-24-34(26-28)22-10-8-6-4-3-5-7-9-11-23-35-25-13-17-29(27-35)31-19-15-21-33(31)2/h12-13,16-17,24-27,30-31H,3-11,14-15,18-23H2,1-2H3/q+2/t30-,31-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119773
PNG
(1,1'-(nonane-1,9-diyl)bis(3-methylpyridinium)bromi...)
Show SMILES Cc1ccc[n+](CCCCCCCCC[n+]2cccc(C)c2)c1
Show InChI InChI=1S/C21H32N2/c1-20-12-10-16-22(18-20)14-8-6-4-3-5-7-9-15-23-17-11-13-21(2)19-23/h10-13,16-19H,3-9,14-15H2,1-2H3/q+2
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PubMed
>1.00E+5n/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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50119774
PNG
(1,1'-(dodecane-1,12-diyl)bis(3-methylpyridinium)br...)
Show SMILES Cc1ccc[n+](CCCCCCCCCCCC[n+]2cccc(C)c2)c1
Show InChI InChI=1S/C24H38N2/c1-23-15-13-19-25(21-23)17-11-9-7-5-3-4-6-8-10-12-18-26-20-14-16-24(2)22-26/h13-16,19-22H,3-12,17-18H2,1-2H3/q+2
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PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+5n/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)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair