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Compile Data Set for Download or QSAR

Found 154 hits of ec50 for UniProtKB: P32297   
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
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 4.37n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
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 7n/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype


J Med Chem 41: 407-12 (1998)


Article DOI: 10.1021/jm9706224
BindingDB Entry DOI: 10.7270/Q2CJ8F56
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
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 7n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potency and efficacy at human Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 7.94n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 8.13n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 10n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50240856
PNG
(7-Methyl-2-pyridazin-4-yl-7-aza-bicyclo[2.2.1]hept...)
Show SMILES CN1C2CCC1C(C2)c1ccnnc1 |TLB:8:6:1:4.3|
Show InChI InChI=1S/C11H15N3/c1-14-9-2-3-11(14)10(6-9)8-4-5-12-13-7-8/h4-5,7,9-11H,2-3,6H2,1H3
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n/an/an/an/a 13n/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Effective concentration against Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
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 19n/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells


Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411219
PNG
(CHEMBL479614)
Show SMILES Clc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
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 25.1n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
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 27n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay


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


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 28.8n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 47.9n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411210
PNG
(CHEMBL481977)
Show SMILES Cc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1 |r|
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 70.8n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 75.9n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411228
PNG
(CHEMBL448457)
Show SMILES Brc1cc(cnc1Br)N1CC[C@@H]2CN[C@@H]2C1 |r|
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 110n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411226
PNG
(CHEMBL506353)
Show SMILES Clc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1 |r|
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 110n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50201065
PNG
((1R,6S)-3-(5-ethoxy-pyridin-3-yl)-3,8-diaza-bicycl...)
Show SMILES CCOc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
Show InChI InChI=1S/C13H19N3O/c1-2-17-12-5-11(7-14-8-12)16-4-3-10-6-15-13(10)9-16/h5,7-8,10,13,15H,2-4,6,9H2,1H3/t10-,13-/m0/s1
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n/an/an/an/a 123n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50062641
PNG
(5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r|
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 130n/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype


J Med Chem 41: 407-12 (1998)


Article DOI: 10.1021/jm9706224
BindingDB Entry DOI: 10.7270/Q2CJ8F56
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411225
PNG
(CHEMBL451632)
Show SMILES COc1cc(cnc1Br)N1CC[C@@H]2CN[C@@H]2C1 |r|
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-/m1/s1
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n/an/an/an/a 158n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 182n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50062641
PNG
(5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r|
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 190n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay


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


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50062641
PNG
(5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r|
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 200n/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Bindind affinity value obtained by measuring the displacement of radioligand [3H]-(-)-cytisine from whole rat brain Nicotinic acetylcholine receptor


J Med Chem 41: 407-12 (1998)


Article DOI: 10.1021/jm9706224
BindingDB Entry DOI: 10.7270/Q2CJ8F56
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411212
PNG
(CHEMBL481002)
Show SMILES COc1cc(cnc1Br)N1C[C@H]2CCNC[C@@H]12 |r|
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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n/an/an/an/a 204n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411209
PNG
(CHEMBL448697)
Show SMILES Brc1ncc(cc1C#N)N1C[C@H]2CCNC[C@@H]12 |r|
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 240n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411218
PNG
(CHEMBL479613)
Show SMILES C1N[C@@H]2CN(CC[C@H]12)c1cccnc1 |r|
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-/m1/s1
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n/an/an/an/a 257n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411213
PNG
(CHEMBL468065)
Show SMILES Cc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12 |r|
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 295n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411229
PNG
(CHEMBL450667)
Show SMILES Clc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12 |r|
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 339n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 389n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50201058
PNG
((1S,6R)-5-(3,8-diaza-bicyclo[4.2.0]oct-3-yl)-nicot...)
Show SMILES N#Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
Show InChI InChI=1S/C12H14N4/c13-4-9-3-11(7-14-5-9)16-2-1-10-6-15-12(10)8-16/h3,5,7,10,12,15H,1-2,6,8H2/t10-,12-/m1/s1
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n/an/an/an/a 490n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50062642
PNG
(2-Chloro-5-((R)-1-pyrrolidin-2-ylmethoxy)-pyridine...)
Show SMILES Clc1ccc(OC[C@H]2CCCN2)cn1
Show InChI InChI=1S/C10H13ClN2O/c11-10-4-3-9(6-13-10)14-7-8-2-1-5-12-8/h3-4,6,8,12H,1-2,5,7H2/t8-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype


J Med Chem 41: 407-12 (1998)


Article DOI: 10.1021/jm9706224
BindingDB Entry DOI: 10.7270/Q2CJ8F56
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype


J Med Chem 41: 407-12 (1998)


Article DOI: 10.1021/jm9706224
BindingDB Entry DOI: 10.7270/Q2CJ8F56
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potency and efficacy at rat Nicotinic acetylcholine receptor in PC12 cells (ganglionic)


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 794n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411220
PNG
(CHEMBL465916)
Show SMILES [O-][N+](=O)c1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
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 832n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411216
PNG
(CHEMBL481184)
Show SMILES Brc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
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-/m1/s1
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n/an/an/an/a 955n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411214
PNG
(CHEMBL442663)
Show SMILES N#Cc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
Show InChI InChI=1S/C12H14N4/c13-4-9-3-11(7-14-5-9)16-2-1-10-6-15-12(10)8-16/h3,5,7,10,12,15H,1-2,6,8H2/t10-,12-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50201051
PNG
((1R,6S)-3-(6-methoxy-pyridin-3-yl)-3,8-diaza-bicyc...)
Show SMILES COc1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|
Show InChI InChI=1S/C12H17N3O/c1-16-12-3-2-10(7-14-12)15-5-4-9-6-13-11(9)8-15/h2-3,7,9,11,13H,4-6,8H2,1H3/t9-,11-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50049753
PNG
(3-((R)-1-Azetidin-2-ylmethoxy)-pyridine | 3-((S)-1...)
Show SMILES C(Oc1cccnc1)[C@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype


J Med Chem 41: 407-12 (1998)


Article DOI: 10.1021/jm9706224
BindingDB Entry DOI: 10.7270/Q2CJ8F56
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50062643
PNG
(2-Chloro-5-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...)
Show SMILES Clc1ccc(OC[C@@H]2CCCN2)cn1
Show InChI InChI=1S/C10H13ClN2O/c11-10-4-3-9(6-13-10)14-7-8-2-1-5-12-8/h3-4,6,8,12H,1-2,5,7H2/t8-/m0/s1
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n/an/an/an/a 1.19E+3n/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype


J Med Chem 41: 407-12 (1998)


Article DOI: 10.1021/jm9706224
BindingDB Entry DOI: 10.7270/Q2CJ8F56
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 1.38E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50201047
PNG
((1S,6R)-3-(5-methyl-pyridin-3-yl)-3,8-diaza-bicycl...)
Show SMILES Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
Show InChI InChI=1S/C12H17N3/c1-9-4-11(7-13-5-9)15-3-2-10-6-14-12(10)8-15/h4-5,7,10,12,14H,2-3,6,8H2,1H3/t10-,12-/m1/s1
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n/an/an/an/a 1.41E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411230
PNG
(CHEMBL451075)
Show SMILES Clc1ccc(cn1)N1C[C@H]2CCNC[C@@H]12 |r|
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 1.51E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411222
PNG
(CHEMBL508645)
Show SMILES C1[C@H]2CCNC[C@H]2N1c1cccnc1 |r|
Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-8-9-3-5-13-7-11(9)14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11-/m1/s1
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n/an/an/an/a 1.55E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50201070
PNG
((1R,6S)-8-pyridin-3-yl-3,8-diaza-bicyclo[4.2.0]oct...)
Show SMILES C1[C@@H]2CCNC[C@@H]2N1c1cccnc1 |r|
Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-8-9-3-5-13-7-11(9)14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11-/m0/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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 |r|
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 1.91E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1|
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
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n/an/an/an/a 2.10E+3n/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined against Nicotinic acetylcholine receptor using [3H]-(-)-nicotine radioligand


Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411217
PNG
(CHEMBL481193)
Show SMILES COc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
Show InChI InChI=1S/C12H17N3O/c1-16-12-3-2-10(7-14-12)15-5-4-9-6-13-11(9)8-15/h2-3,7,9,11,13H,4-6,8H2,1H3/t9-,11-/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50411211
PNG
(CHEMBL468064)
Show SMILES N#Cc1cncc(c1)N1C[C@@H]2CCNC[C@H]12 |r|
Show InChI InChI=1S/C12H14N4/c13-4-9-3-11(6-15-5-9)16-8-10-1-2-14-7-12(10)16/h3,5-6,10,12,14H,1-2,7-8H2/t10-,12-/m0/s1
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n/an/an/an/a 2.57E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


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


Article DOI: 10.1016/j.bmcl.2008.11.016
BindingDB Entry DOI: 10.7270/Q2T154WM
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50387569
PNG
(CHEMBL2057714)
Show SMILES C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4|
Show InChI InChI=1S/C14H19N3/c1-2-13(10-15-6-1)16-9-5-14(11-16)12-3-7-17(14)8-4-12/h1-2,6,10,12H,3-5,7-9,11H2
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n/an/an/an/a 2.60E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells assessed as calcium flux by fluorescence analysis


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
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