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Compile Data Set for Download or QSAR

Found 121 hits of ec50 data for polymerid = 5102   
Target
(Institution)
LigandTarget
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-4


(Homo sapiens (human))
BDBM50187445
PNG
(1-(6-bromopyridin-3-yl)-1,5-diazocane | 1-(6-bromo...)
Show SMILES Brc1ccc(cn1)N1CCCNCCC1
Show InChI InChI=1S/C11H16BrN3/c12-11-4-3-10(9-14-11)15-7-1-5-13-6-2-8-15/h3-4,9,13H,1-2,5-8H2
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n/an/an/an/a 1.29n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264800
PNG
(3-(2-chloro-6-fluorophenyl)-5-(1-ethyl-2-(piperidi...)
Show SMILES CCn1c(cnc1C1CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C19H20ClFN4O/c1-2-25-16(11-23-19(25)12-6-8-22-9-7-12)17-10-15(24-26-17)18-13(20)4-3-5-14(18)21/h3-5,10-12,22H,2,6-9H2,1H3
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n/an/an/an/a 3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264920
PNG
(3-(2-chloro-6-fluorophenyl)-5-(1-ethyl-2-(4-fluoro...)
Show SMILES CCn1c(cnc1C1(F)CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C19H19ClF2N4O/c1-2-26-15(11-24-18(26)19(22)6-8-23-9-7-19)16-10-14(25-27-16)17-12(20)4-3-5-13(17)21/h3-5,10-11,23H,2,6-9H2,1H3
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n/an/an/an/a 3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264917
PNG
(3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-(piperid...)
Show SMILES Cc1c(cnn1C1CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C18H18ClFN4O/c1-11-13(10-22-24(11)12-5-7-21-8-6-12)17-9-16(23-25-17)18-14(19)3-2-4-15(18)20/h2-4,9-10,12,21H,5-8H2,1H3
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n/an/an/an/a 6n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201064
PNG
((1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-3-y...)
Show SMILES Brc1ncc(cc1C#N)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C12H13BrN4/c13-12-9(4-14)3-10(6-16-12)17-2-1-8-5-15-11(8)7-17/h3,6,8,11,15H,1-2,5,7H2/t8-,11-/m0/s1
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n/an/an/an/a 6.17n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201055
PNG
((1R,6S)-3-(6-chloro-5-methyl-pyridin-3-yl)-3,8-dia...)
Show SMILES Cc1cc(cnc1Cl)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C12H16ClN3/c1-8-4-10(6-15-12(8)13)16-3-2-9-5-14-11(9)7-16/h4,6,9,11,14H,2-3,5,7H2,1H3/t9-,11-/m0/s1
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n/an/an/an/a 7.24n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201048
PNG
((1R,6S)-3-(5,6-dibromo-pyridin-3-yl)-3,8-diaza-bic...)
Show SMILES Brc1cc(cnc1Br)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H13Br2N3/c12-9-3-8(5-15-11(9)13)16-2-1-7-4-14-10(7)6-16/h3,5,7,10,14H,1-2,4,6H2/t7-,10-/m0/s1
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n/an/an/an/a 7.76n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264799
PNG
(3-(2-chloro-6-fluorophenyl)-5-(1-methyl-2-(piperid...)
Show SMILES Cn1c(cnc1C1CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C18H18ClFN4O/c1-24-15(10-22-18(24)11-5-7-21-8-6-11)16-9-14(23-25-16)17-12(19)3-2-4-13(17)20/h2-4,9-11,21H,5-8H2,1H3
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n/an/an/an/a 12n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201061
PNG
((1R,6S)-3-(5,6-dichloro-pyridin-3-yl)-3,8-diaza-bi...)
Show SMILES Clc1cc(cnc1Cl)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H13Cl2N3/c12-9-3-8(5-15-11(9)13)16-2-1-7-4-14-10(7)6-16/h3,5,7,10,14H,1-2,4,6H2/t7-,10-/m0/s1
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n/an/an/an/a 12.0n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201062
PNG
((1R,6S)-3-(6-chloro-pyridin-3-yl)-3,8-diaza-bicycl...)
Show SMILES Clc1ccc(cn1)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H14ClN3/c12-11-2-1-9(6-14-11)15-4-3-8-5-13-10(8)7-15/h1-2,6,8,10,13H,3-5,7H2/t8-,10-/m0/s1
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n/an/an/an/a 12.9n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50187453
PNG
(1-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane | 1...)
Show SMILES Clc1cc(cnc1Br)N1CCCNCC1
Show InChI InChI=1S/C10H13BrClN3/c11-10-9(12)6-8(7-14-10)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2
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n/an/an/an/a 15.1n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264884
PNG
(3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-...)
Show SMILES Cc1c(cnn1C1CCNCC1)-c1cc(no1)-c1ccccc1Cl
Show InChI InChI=1S/C18H19ClN4O/c1-12-15(11-21-23(12)13-6-8-20-9-7-13)18-10-17(22-24-18)14-4-2-3-5-16(14)19/h2-5,10-11,13,20H,6-9H2,1H3
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n/an/an/an/a 18n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50062641
PNG
(5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1
Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay


Bioorg Med Chem Lett 19: 1682-5 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201072
PNG
((1R,6S)-3-(6-bromo-5-methoxy-pyridin-3-yl)-3,8-dia...)
Show SMILES COc1cc(cnc1Br)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C12H16BrN3O/c1-17-11-4-9(6-15-12(11)13)16-3-2-8-5-14-10(8)7-16/h4,6,8,10,14H,2-3,5,7H2,1H3/t8-,10-/m0/s1
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n/an/an/an/a 20.9n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411219
PNG
(CHEMBL479614)
Show SMILES Clc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H14ClN3/c12-11-2-1-9(6-14-11)15-4-3-8-5-13-10(8)7-15/h1-2,6,8,10,13H,3-5,7H2/t8-,10-/m1/s1
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n/an/an/an/a 24.0n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264798
PNG
(3-(2-chlorophenyl)-5-(2-(piperidin-4-yl)thiazol-5-...)
Show SMILES Clc1ccccc1-c1cc(on1)-c1cnc(s1)C1CCNCC1
Show InChI InChI=1S/C17H16ClN3OS/c18-13-4-2-1-3-12(13)14-9-15(22-21-14)16-10-20-17(23-16)11-5-7-19-8-6-11/h1-4,9-11,19H,5-8H2
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n/an/an/an/a 33n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264801
PNG
(3-(2-chloro-6-fluorophenyl)-5-(2-(4-fluoropiperidi...)
Show SMILES Cn1c(cnc1C1(F)CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C18H17ClF2N4O/c1-25-14(10-23-17(25)18(21)5-7-22-8-6-18)15-9-13(24-26-15)16-11(19)3-2-4-12(16)20/h2-4,9-10,22H,5-8H2,1H3
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n/an/an/an/a 34n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50187447
PNG
(1-(pyridin-3-yl)-1,5-diazocane | 1-pyridin-3-yl-[1...)
Show SMILES C1CNCCCN(C1)c1cccnc1
Show InChI InChI=1S/C11H17N3/c1-4-11(10-13-5-1)14-8-2-6-12-7-3-9-14/h1,4-5,10,12H,2-3,6-9H2
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n/an/an/an/a 36.3n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201060
PNG
((1R,6S)-8-(6-chloro-pyridin-3-yl)-3,8-diaza-bicycl...)
Show SMILES Clc1ccc(cn1)N1C[C@@H]2CCNC[C@H]12
Show InChI InChI=1S/C11H14ClN3/c12-11-2-1-9(5-14-11)15-7-8-3-4-13-6-10(8)15/h1-2,5,8,10,13H,3-4,6-7H2/t8-,10-/m0/s1
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n/an/an/an/a 37.1n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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n/an/an/an/a 40n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha4beta2 nicotinic acetylcholine receptor expressed in HEK293 cells assessed as changes in intracellular cal...


J Med Chem 52: 4126-41 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411210
PNG
(CHEMBL481977)
Show SMILES Cc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C12H16ClN3/c1-8-4-10(6-15-12(8)13)16-3-2-9-5-14-11(9)7-16/h4,6,9,11,14H,2-3,5,7H2,1H3/t9-,11-/m1/s1
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n/an/an/an/a 46.8n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264916
PNG
(3-(2-chloro-6-fluorophenyl)-5-(1-(piperidin-4-yl)-...)
Show SMILES Fc1cccc(Cl)c1-c1cc(on1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C17H16ClFN4O/c18-13-2-1-3-14(19)17(13)15-8-16(24-22-15)11-9-21-23(10-11)12-4-6-20-7-5-12/h1-3,8-10,12,20H,4-7H2
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n/an/an/an/a 48n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50187441
PNG
(1-(5-bromo-6-chloropyridin-3-yl)-1,4-diazepane | 4...)
Show SMILES Clc1ncc(cc1Br)N1CCCNCC1
Show InChI InChI=1S/C10H13BrClN3/c11-9-6-8(7-14-10(9)12)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2
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n/an/an/an/a 57.5n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50088454
PNG
(1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...)
Show SMILES Brc1ccc(cn1)N1CCCNCC1
Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
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n/an/an/an/a 64.6n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201069
PNG
((1R,6S)-3-(pyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]o...)
Show SMILES C1N[C@H]2CN(CC[C@@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-10(7-12-4-1)14-5-3-9-6-13-11(9)8-14/h1-2,4,7,9,11,13H,3,5-6,8H2/t9-,11-/m0/s1
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n/an/an/an/a 70.8n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201054
PNG
((1R,6S)-8-(6-chloro-5-methyl-pyridin-3-yl)-3,8-dia...)
Show SMILES Cc1cc(cnc1Cl)N1C[C@@H]2CCNC[C@H]12
Show InChI InChI=1S/C12H16ClN3/c1-8-4-10(5-15-12(8)13)16-7-9-2-3-14-6-11(9)16/h4-5,9,11,14H,2-3,6-7H2,1H3/t9-,11-/m0/s1
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n/an/an/an/a 75.9n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411228
PNG
(CHEMBL448457)
Show SMILES Brc1cc(cnc1Br)N1CC[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H13Br2N3/c12-9-3-8(5-15-11(9)13)16-2-1-7-4-14-10(7)6-16/h3,5,7,10,14H,1-2,4,6H2/t7-,10-/m1/s1
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n/an/an/an/a 75.9n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411226
PNG
(CHEMBL506353)
Show SMILES Clc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H13Cl2N3/c12-9-3-8(5-15-11(9)13)16-2-1-7-4-14-10(7)6-16/h3,5,7,10,14H,1-2,4,6H2/t7-,10-/m1/s1
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n/an/an/an/a 81.3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50088456
PNG
(1-(6-Chloro-5-methoxy-pyridin-3-yl)-[1,4]diazepane...)
Show SMILES COc1cc(cnc1Cl)N1CCCNCC1
Show InChI InChI=1S/C11H16ClN3O/c1-16-10-7-9(8-14-11(10)12)15-5-2-3-13-4-6-15/h7-8,13H,2-6H2,1H3
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n/an/an/an/a 91.2n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201056
PNG
((1R,6S)-3-(6-nitro-pyridin-3-yl)-3,8-diaza-bicyclo...)
Show SMILES [O-][N+](=O)c1ccc(cn1)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H14N4O2/c16-15(17)11-2-1-9(6-13-11)14-4-3-8-5-12-10(8)7-14/h1-2,6,8,10,12H,3-5,7H2/t8-,10-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411220
PNG
(CHEMBL465916)
Show SMILES [O-][N+](=O)c1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H14N4O2/c16-15(17)11-2-1-9(6-13-11)14-4-3-8-5-12-10(8)7-14/h1-2,6,8,10,12H,3-5,7H2/t8-,10-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50187455
PNG
(1-(6-Bromo-5-vinylpyridin-3-yl)-[1,4]diazepane | 1...)
Show SMILES Brc1ncc(cc1OC=C)N1CCCNCC1
Show InChI InChI=1S/C12H16BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h2,8-9,14H,1,3-7H2
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n/an/an/an/a 110n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201053
PNG
((1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-y...)
Show SMILES Brc1ncc(cc1C#N)N1C[C@@H]2CCNC[C@H]12
Show InChI InChI=1S/C12H13BrN4/c13-12-9(4-14)3-10(5-16-12)17-7-8-1-2-15-6-11(8)17/h3,5,8,11,15H,1-2,6-7H2/t8-,11-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264883
PNG
(3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazo...)
Show SMILES Clc1ccccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C17H17ClN4O/c18-15-4-2-1-3-14(15)16-9-17(23-21-16)12-10-20-22(11-12)13-5-7-19-8-6-13/h1-4,9-11,13,19H,5-8H2
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n/an/an/an/a 120n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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n/an/an/an/a 120n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay


Bioorg Med Chem Lett 19: 1682-5 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50187439
PNG
(1-(5-Methoxypyridin-3-yl)-[1,5]diazocane | 1-(5-me...)
Show SMILES COc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C12H19N3O/c1-16-12-8-11(9-14-10-12)15-6-2-4-13-5-3-7-15/h8-10,13H,2-7H2,1H3
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n/an/an/an/a 120n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201073
PNG
((1R,6S)-3-(5-methoxy-pyridin-3-yl)-3,8-diaza-bicyc...)
Show SMILES COc1cncc(c1)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C12H17N3O/c1-16-11-4-10(6-13-7-11)15-3-2-9-5-14-12(9)8-15/h4,6-7,9,12,14H,2-3,5,8H2,1H3/t9-,12-/m0/s1
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n/an/an/an/a 129n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264763
PNG
(3-(2-chlorothiophen-3-yl)-5-(1-(piperidin-4-yl)-1H...)
Show SMILES Clc1sccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C15H15ClN4OS/c16-15-12(3-6-22-15)13-7-14(21-19-13)10-8-18-20(9-10)11-1-4-17-5-2-11/h3,6-9,11,17H,1-2,4-5H2
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n/an/an/an/a 130n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411213
PNG
(CHEMBL468065)
Show SMILES Cc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12
Show InChI InChI=1S/C12H16ClN3/c1-8-4-10(5-15-12(8)13)16-7-9-2-3-14-6-11(9)16/h4-5,9,11,14H,2-3,6-7H2,1H3/t9-,11-/m1/s1
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n/an/an/an/a 135n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50088448
PNG
(5-(1,4-diazepan-1-yl)pyridin-3-ol | 5-[1,4]Diazepa...)
Show SMILES Oc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C10H15N3O/c14-10-6-9(7-12-8-10)13-4-1-2-11-3-5-13/h6-8,11,14H,1-5H2
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n/an/an/an/a 141n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201059
PNG
((1R,6S)-3-(5-bromo-pyridin-3-yl)-3,8-diaza-bicyclo...)
Show SMILES Brc1cncc(c1)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H14BrN3/c12-9-3-10(6-13-5-9)15-2-1-8-4-14-11(8)7-15/h3,5-6,8,11,14H,1-2,4,7H2/t8-,11-/m0/s1
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n/an/an/an/a 151n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50187437
PNG
(1-(5-chloropyridin-3-yl)-1,5-diazocane | 1-(5-chlo...)
Show SMILES Clc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C11H16ClN3/c12-10-7-11(9-14-8-10)15-5-1-3-13-4-2-6-15/h7-9,13H,1-6H2
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n/an/an/an/a 170n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411209
PNG
(CHEMBL448697)
Show SMILES Brc1ncc(cc1C#N)N1C[C@H]2CCNC[C@@H]12
Show InChI InChI=1S/C12H13BrN4/c13-12-9(4-14)3-10(5-16-12)17-7-8-1-2-15-6-11(8)17/h3,5,8,11,15H,1-2,6-7H2/t8-,11-/m1/s1
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n/an/an/an/a 174n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411229
PNG
(CHEMBL450667)
Show SMILES Clc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12
Show InChI InChI=1S/C11H13Cl2N3/c12-9-3-8(4-15-11(9)13)16-6-7-1-2-14-5-10(7)16/h3-4,7,10,14H,1-2,5-6H2/t7-,10-/m1/s1
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n/an/an/an/a 178n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50187454
PNG
(1-(5-Bromopyridin-3-yl)-[1,5]diazocane | 1-(5-brom...)
Show SMILES Brc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C11H16BrN3/c12-10-7-11(9-14-8-10)15-5-1-3-13-4-2-6-15/h7-9,13H,1-6H2
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n/an/an/an/a 182n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50201067
PNG
((1S,6R)-5-(3,8-diaza-bicyclo[4.2.0]oct-3-yl)-N-hyd...)
Show SMILES ONC(=N)c1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C12H17N5O/c13-12(16-18)9-3-10(6-14-4-9)17-2-1-8-5-15-11(8)7-17/h3-4,6,8,11,15,18H,1-2,5,7H2,(H2,13,16)/t8-,11-/m1/s1
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n/an/an/an/a 182n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411212
PNG
(CHEMBL481002)
Show SMILES COc1cc(cnc1Br)N1C[C@H]2CCNC[C@@H]12
Show InChI InChI=1S/C12H16BrN3O/c1-17-11-4-9(5-15-12(11)13)16-7-8-2-3-14-6-10(8)16/h4-5,8,10,14H,2-3,6-7H2,1H3/t8-,10-/m1/s1
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Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264762
PNG
(3-(3-chloropyridin-4-yl)-5-(1-(piperidin-4-yl)-1H-...)
Show SMILES Clc1cnccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C16H16ClN5O/c17-14-9-19-6-3-13(14)15-7-16(23-21-15)11-8-20-22(10-11)12-1-4-18-5-2-12/h3,6-10,12,18H,1-2,4-5H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50411230
PNG
(CHEMBL451075)
Show SMILES Clc1ccc(cn1)N1C[C@H]2CCNC[C@@H]12
Show InChI InChI=1S/C11H14ClN3/c12-11-2-1-9(5-14-11)15-7-8-3-4-13-6-10(8)15/h1-2,5,8,10,13H,3-4,6-7H2/t8-,10-/m1/s1
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n/an/an/an/a 214n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha4beta2 nAChR


Bioorg Med Chem Lett 19: 127-31 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50264919
PNG
(3-(2-chloro-4-fluorophenyl)-5-(1-(piperidin-4-yl)-...)
Show SMILES Fc1ccc(-c2cc(on2)-c2cnn(c2)C2CCNCC2)c(Cl)c1
Show InChI InChI=1S/C17H16ClFN4O/c18-15-7-12(19)1-2-14(15)16-8-17(24-22-16)11-9-21-23(10-11)13-3-5-20-6-4-13/h1-2,7-10,13,20H,3-6H2
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n/an/an/an/a 220n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current


Bioorg Med Chem Lett 18: 5209-12 (2008)

More data for this
Ligand-Target Pair
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