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PubMed code 21147530

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334463
PNG
(1,3,5-tri-{5-[1-(3-picolinium)]-pent-1-ynyl}benzen...)
Show SMILES Cc1ccc[n+](CCCC#Cc2cc(cc(c2)C#CCCC[n+]2cccc(C)c2)C#CCCC[n+]2cccc(C)c2)c1
Show InChI InChI=1S/C39H42N3/c1-34-16-13-25-40(31-34)22-10-4-7-19-37-28-38(20-8-5-11-23-41-26-14-17-35(2)32-41)30-39(29-37)21-9-6-12-24-42-27-15-18-36(3)33-42/h13-18,25-33H,4-6,10-12,22-24H2,1-3H3/q+3
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n/an/a 0.200n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334472
PNG
(1,3,5-tris(5-(3,4-dihydroisoquinolin-2(1H)-yl)pent...)
Show SMILES C(CCN1CCc2ccccc2C1)CCc1cc(CCCCCN2CCc3ccccc3C2)cc(CCCCCN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C48H63N3/c1(13-28-49-31-25-43-19-7-10-22-46(43)37-49)4-16-40-34-41(17-5-2-14-29-50-32-26-44-20-8-11-23-47(44)38-50)36-42(35-40)18-6-3-15-30-51-33-27-45-21-9-12-24-48(45)39-51/h7-12,19-24,34-36H,1-6,13-18,25-33,37-39H2
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n/an/a 0.350n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334464
PNG
(1,12-bis(3-methyl-5,6-dihydropyridin-1(2H)-yl)dode...)
Show SMILES CC1=CCCN(CCCCCCCCCCCCN2CCC=C(C)C2)C1 |t:1,21|
Show InChI InChI=1S/C24H44N2/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/h15-16H,3-14,17-22H2,1-2H3
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n/an/a 0.950n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		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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n/an/a 2n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334474
PNG
(1,1',1'',1'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetr...)
Show SMILES OCCCc1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc(CCCO)c3)c(CCCCC[n+]3cccc(CCCO)c3)cc2CCCCC[n+]2cccc(CCCO)c2)c1
Show InChI InChI=1S/C58H86N4O4/c63-41-17-25-51-21-13-37-59(47-51)33-9-1-5-29-55-45-57(31-7-3-11-35-61-39-15-23-53(49-61)27-19-43-65)58(32-8-4-12-36-62-40-16-24-54(50-62)28-20-44-66)46-56(55)30-6-2-10-34-60-38-14-22-52(48-60)26-18-42-64/h13-16,21-24,37-40,45-50,63-66H,1-12,17-20,25-36,41-44H2/q+4
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n/an/a 3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334466
PNG
(1,3,5-tris(5-(3-methyl-5,6-dihydropyridin-1(2H)-yl...)
Show SMILES CC1=CCCN(CCCC#Cc2cc(cc(c2)C#CCCCN2CCC=C(C)C2)C#CCCCN2CCC=C(C)C2)C1 |t:1,26,39|
Show InChI InChI=1S/C39H51N3/c1-34-16-13-25-40(31-34)22-10-4-7-19-37-28-38(20-8-5-11-23-41-26-14-17-35(2)32-41)30-39(29-37)21-9-6-12-24-42-27-15-18-36(3)33-42/h16-18,28-30H,4-6,10-15,22-27,31-33H2,1-3H3
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n/an/a 3.22n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334470
PNG
(1,12-bis(3,4-dihydroisoquinolin-2(1H)-yl)dodecane ...)
Show SMILES C(CCCCCCN1CCc2ccccc2C1)CCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C30H44N2/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/h9-12,15-18H,1-8,13-14,19-26H2
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n/an/a 8.59n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334471
PNG
(1,10-bis(3,4-dihydroisoquinolin-2(1H)-yl)decane | ...)
Show SMILES C(CCCCCN1CCc2ccccc2C1)CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C28H40N2/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/h7-10,13-16H,1-6,11-12,17-24H2
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n/an/a 9.91n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334475
PNG
(3,3',3'',3'''-(1,1',1'',1'''-(5,5',5'',5'''-(benze...)
Show SMILES OCCCC1=CCCN(CCCCCc2cc(CCCCCN3CCC=C(CCCO)C3)c(CCCCCN3CCC=C(CCCO)C3)cc2CCCCCN2CCC=C(CCCO)C2)C1 |t:4,25,42,61|
Show InChI InChI=1S/C58H98N4O4/c63-41-17-25-51-21-13-37-59(47-51)33-9-1-5-29-55-45-57(31-7-3-11-35-61-39-15-23-53(49-61)27-19-43-65)58(32-8-4-12-36-62-40-16-24-54(50-62)28-20-44-66)46-56(55)30-6-2-10-34-60-38-14-22-52(48-60)26-18-42-64/h21-24,45-46,63-66H,1-20,25-44,47-50H2
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n/an/a 30n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334465
PNG
(1,10-bis(3-methyl-5,6-dihydropyridin-1(2H)-yl)deca...)
Show SMILES CC1=CCCN(CCCCCCCCCCN2CCC=C(C)C2)C1 |t:1,19|
Show InChI InChI=1S/C22H40N2/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/h13-14H,3-12,15-20H2,1-2H3
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n/an/a 37.4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		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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n/an/a 40n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334469
PNG
(2,2',2'',2'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetr...)
Show SMILES C(CCc1cc(CCCCC[n+]2ccc3ccccc3c2)c(CCCCC[n+]2ccc3ccccc3c2)cc1CCCCC[n+]1ccc2ccccc2c1)CC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C62H70N4/c1(17-37-63-41-33-51-21-9-13-29-59(51)47-63)5-25-55-45-57(27-7-3-19-39-65-43-35-53-23-11-15-31-61(53)49-65)58(28-8-4-20-40-66-44-36-54-24-12-16-32-62(54)50-66)46-56(55)26-6-2-18-38-64-42-34-52-22-10-14-30-60(52)48-64/h9-16,21-24,29-36,41-50H,1-8,17-20,25-28,37-40H2/q+4
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n/an/a 56n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334467
PNG
(1,2-bis-(5-isoquinolinium-pent-1-ynyl)benzene dibr...)
Show SMILES C(CC#Cc1ccccc1C#CCCC[n+]1ccc2ccccc2c1)C[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C34H30N2/c1(11-23-35-25-21-31-17-7-9-19-33(31)27-35)3-13-29-15-5-6-16-30(29)14-4-2-12-24-36-26-22-32-18-8-10-20-34(32)28-36/h5-10,15-22,25-28H,1-2,11-12,23-24H2/q+2
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n/an/a 63n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		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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n/an/a 70n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		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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n/an/a 180n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6


(Rattus norvegicus)		BDBM50334473
PNG
(1,2,4,5-tetrakis(5-(3,4-dihydroisoquinolin-2(1H)-y...)
Show SMILES C(CCN1CCc2ccccc2C1)CCc1cc(CCCCCN2CCc3ccccc3C2)c(CCCCCN2CCc3ccccc3C2)cc1CCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C62H82N4/c1(17-37-63-41-33-51-21-9-13-29-59(51)47-63)5-25-55-45-57(27-7-3-19-39-65-43-35-53-23-11-15-31-61(53)49-65)58(28-8-4-20-40-66-44-36-54-24-12-16-32-62(54)50-66)46-56(55)26-6-2-18-38-64-42-34-52-22-10-14-30-60(52)48-64/h9-16,21-24,29-32,45-46H,1-8,17-20,25-28,33-44,47-50H2
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n/an/a 205n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release

Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%