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PubMed code 17181167

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 1.69E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 109n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50201052
PNG
((1R,6S)-3-pyrimidin-5-yl-3,8-diaza-bicyclo[4.2.0]o...)
Show SMILES C1N[C@H]2CN(CC[C@@H]12)c1cncnc1
Show InChI InChI=1S/C10H14N4/c1-2-14(6-10-8(1)3-13-10)9-4-11-7-12-5-9/h4-5,7-8,10,13H,1-3,6H2/t8-,10-/m0/s1
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n/an/an/an/a 350n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 172n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 330n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 7.20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 180n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 2.70E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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
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 620n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 37.4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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
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 2.20E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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
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 1.90E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 47n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 2.19E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 13n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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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n/an/an/an/a 200n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50201071
PNG
((1R,6S)-3-(6-chloro-pyridazin-3-yl)-3,8-diaza-bicy...)
Show SMILES Clc1ccc(nn1)N1CC[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C10H13ClN4/c11-9-1-2-10(14-13-9)15-4-3-7-5-12-8(7)6-15/h1-2,7-8,12H,3-6H2/t7-,8-/m0/s1
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n/an/an/an/a 78.3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 1.93E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50201066
PNG
((1R,6S)-8-(5-Methoxy-pyridin-3-yl)-3,8-diaza-bicyc...)
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-/m0/s1
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n/an/an/an/a 7.69E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 150n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 4.98E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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
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 650n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 12n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 76n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50201063
PNG
((1S,6R)-8-pyrimidin-5-yl-3,8-diaza-bicyclo[4.2.0]o...)
Show SMILES C1[C@@H]2CCNC[C@@H]2N1c1cncnc1
Show InChI InChI=1S/C10H14N4/c1-2-11-5-10-8(1)6-14(10)9-3-12-7-13-4-9/h3-4,7-8,10-11H,1-2,5-6H2/t8-,10-/m0/s1
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n/an/an/an/a 8.42E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 1.40E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50201050
PNG
((1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-y...)
Show SMILES NC(=O)c1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12
Show InChI InChI=1S/C12H15BrN4O/c13-11-9(12(14)18)3-8(4-16-11)17-6-7-1-2-15-5-10(7)17/h3-4,7,10,15H,1-2,5-6H2,(H2,14,18)/t7-,10-/m0/s1
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n/an/an/an/a 1.49E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 76.1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 1.90E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 1.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 271n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 1.35E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50411223
PNG
(CHEMBL463862)
Show SMILES NC(=O)c1cc(cnc1Br)N1C[C@H]2CCNC[C@@H]12
Show InChI InChI=1S/C12H15BrN4O/c13-11-9(12(14)18)3-8(4-16-11)17-6-7-1-2-15-5-10(7)17/h3-4,7,10,15H,1-2,5-6H2,(H2,14,18)/t7-,10-/m1/s1
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n/an/an/an/a 340n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 360n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 176n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 1.11E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 24n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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
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 410n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 216n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50411231
PNG
(CHEMBL1162937)
Show SMILES Clc1ccc(nn1)N1CC[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C10H13ClN4/c11-9-1-2-10(14-13-9)15-4-3-7-5-12-8(7)6-15/h1-2,7-8,12H,3-6H2/t7-,8-/m1/s1
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n/an/an/an/a 359n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 7.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 6.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 134n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 71n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 130n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50411224
PNG
(CHEMBL1162936)
Show SMILES C1N[C@@H]2CN(CC[C@H]12)c1cncnc1
Show InChI InChI=1S/C10H14N4/c1-2-14(6-10-8(1)3-13-10)9-4-11-7-12-5-9/h4-5,7-8,10,13H,1-3,6H2/t8-,10-/m1/s1
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n/an/an/an/a 4.39E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 21n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-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 82n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR


J Med Chem 49: 7843-53 (2006)


Article DOI: 10.1021/jm060846z
BindingDB Entry DOI: 10.7270/Q28G8MZZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%