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Compile Data Set for Download or QSAR

Found 98 hits of ec50 data for polymerid = 49000413,50001283,9297,9300   
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
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 4.37n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 7.94n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 8.13n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 10n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 25.1n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 28.8n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 47.9n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 70.8n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 75.9n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 110n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 110n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411225
PNG
(CHEMBL451632)
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-/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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 182n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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
PDB

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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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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
PDB

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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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 240n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411218
PNG
(CHEMBL479613)
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-/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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 295n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 339n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 389n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
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-/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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 794n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 832n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411216
PNG
(CHEMBL481184)
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-/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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411214
PNG
(CHEMBL442663)
Show SMILES N#Cc1cncc(c1)N1CC[C@H]2CN[C@H]2C1
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 1.38E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 1.51E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411222
PNG
(CHEMBL508645)
Show SMILES C1[C@H]2CCNC[C@H]2N1c1cccnc1
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 1.91E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411217
PNG
(CHEMBL481193)
Show SMILES COc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411211
PNG
(CHEMBL468064)
Show SMILES N#Cc1cncc(c1)N1C[C@@H]2CCNC[C@H]12
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


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411221
PNG
(CHEMBL479420)
Show SMILES CCOc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1
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-/m1/s1
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n/an/an/an/a 2.82E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50201057
PNG
((1R,6S)-8-(6-Bromo-5-methoxy-pyridin-3-yl)-3,8-dia...)
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-/m0/s1
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n/an/an/an/a 2.95E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50201049
PNG
((1R,6S)-8-(5,6-dichloro-pyridin-3-yl)-3,8-diaza-bi...)
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-/m0/s1
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n/an/an/an/a 4.07E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411215
PNG
(CHEMBL443370)
Show SMILES COc1cncc(c1)N1C[C@H]2CCNC[C@@H]12
Show InChI InChI=1S/C12H17N3O/c1-16-11-4-10(5-14-6-11)15-8-9-2-3-13-7-12(9)15/h4-6,9,12-13H,2-3,7-8H2,1H3/t9-,12-/m1/s1
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n/an/an/an/a 4.37E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50411227
PNG
(CHEMBL480211)
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-/m1/s1
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n/an/an/an/a 4.47E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50201068
PNG
((1S,6R)-5-(3,8-Diaza-bicyclo[4.2.0]oct-8-yl)-nicot...)
Show SMILES N#Cc1cncc(c1)N1C[C@H]2CCNC[C@@H]12
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-/m1/s1
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n/an/an/an/a 5.62E+3n/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Agonist activity against human alpha3beta4 nAChR


Citation and Details
More data for this
Ligand-Target Pair
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