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PubMed code 17929796

Compile data set for download or QSAR
Found 55 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))
BDBM50224447
PNG
((1R,5R)-3-(6-chloropyridin-3-yl)-3,6-diaza-bicyclo...)
Show SMILES Clc1ccc(cn1)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-5-7-3-12-9(7)6-14/h1-2,4,7,9,12H,3,5-6H2/t7-,9+/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224457
PNG
((1S,5R)-6-pyridin-3-yl-3,6-diaza-bicyclo[3.2.0]hep...)
Show SMILES C1[C@@H]2CNC[C@@H]2N1c1cccnc1
Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-12-6-10(8)13/h1-3,5,8,10,12H,4,6-7H2/t8-,10-/m0/s1
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n/an/an/an/a 2.80E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224444
PNG
((1S,5S)-3-(5-methylpyridin-3-yl)-3,6-diazabicyclo[...)
Show SMILES Cc1cncc(c1)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H15N3/c1-8-2-10(5-12-3-8)14-6-9-4-13-11(9)7-14/h2-3,5,9,11,13H,4,6-7H2,1H3/t9-,11+/m0/s1
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n/an/an/an/a 3.99E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224467
PNG
((1R,5S)-6-(5,6-dichloropyridin-3-yl)-3,6-diazabicy...)
Show SMILES Clc1cc(cnc1Cl)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-5-6-2-13-4-9(6)15/h1,3,6,9,13H,2,4-5H2/t6-,9-/m1/s1
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n/an/an/an/a 300n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224458
PNG
((1R,5R)-3-(6-bromo-5-methoxypyridin-3-yl)-3,6-diaz...)
Show SMILES COc1cc(cnc1Br)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H14BrN3O/c1-16-10-2-8(4-14-11(10)12)15-5-7-3-13-9(7)6-15/h2,4,7,9,13H,3,5-6H2,1H3/t7-,9+/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224462
PNG
((1S,5S)-3-(pyridin-3-yl)-3,6-diazabicyclo[3.2.0]he...)
Show SMILES C1N[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-6-8-4-12-10(8)7-13/h1-3,5,8,10,12H,4,6-7H2/t8-,10+/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224471
PNG
((1R,5S)-6-(5-bromopyridin-3-yl)-3,6-diazabicyclo[3...)
Show SMILES Brc1cncc(c1)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C10H12BrN3/c11-8-1-9(4-13-3-8)14-6-7-2-12-5-10(7)14/h1,3-4,7,10,12H,2,5-6H2/t7-,10-/m1/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224472
PNG
((1R,5S)-6-(6-bromo-5-cyano-pyridin-3-yl)-3,6-diaza...)
Show SMILES Brc1ncc(cc1C#N)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C11H11BrN4/c12-11-7(2-13)1-9(4-15-11)16-6-8-3-14-5-10(8)16/h1,4,8,10,14H,3,5-6H2/t8-,10-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224455
PNG
((1R,5S)-6-(5-nethoxypyridin-3-yl)-3,6-diazabicyclo...)
Show SMILES COc1cncc(c1)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C11H15N3O/c1-15-10-2-9(4-13-5-10)14-7-8-3-12-6-11(8)14/h2,4-5,8,11-12H,3,6-7H2,1H3/t8-,11-/m1/s1
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n/an/an/an/a 3.60E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224480
PNG
((1S,5S)-3-(5-cyano-6-methylpyridin-3-yl)-3,6-diaza...)
Show SMILES Cc1ncc(cc1C#N)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C12H14N4/c1-8-9(3-13)2-11(5-14-8)16-6-10-4-15-12(10)7-16/h2,5,10,12,15H,4,6-7H2,1H3/t10-,12+/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224440
PNG
((1R,5R)-3-(5-bromopyridin-3-yl)-3,6-diazabicyclo[3...)
Show SMILES Brc1cncc(c1)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C10H12BrN3/c11-8-1-9(4-12-3-8)14-5-7-2-13-10(7)6-14/h1,3-4,7,10,13H,2,5-6H2/t7-,10+/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224493
PNG
((1S,5S)-3-(5,6-dimethylpyridin-3-yl)-3,6-diazabicy...)
Show SMILES Cc1cc(cnc1C)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C12H17N3/c1-8-3-11(5-13-9(8)2)15-6-10-4-14-12(10)7-15/h3,5,10,12,14H,4,6-7H2,1-2H3/t10-,12+/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224460
PNG
((1S,5R)-6-(5-cyanopyridin-3-yl)-3,6-diazabicyclo[3...)
Show SMILES N#Cc1cncc(c1)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-7-9-4-14-6-11(9)15/h1,3,5,9,11,14H,4,6-7H2/t9-,11-/m0/s1
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n/an/an/an/a 1.14E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224466
PNG
((1R,5R)-3-(pyridin-3-yl)-3,6-diazabicyclo[3.2.0]he...)
Show SMILES C1N[C@H]2CN(C[C@@H]12)c1cccnc1
Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-6-8-4-12-10(8)7-13/h1-3,5,8,10,12H,4,6-7H2/t8-,10+/m1/s1
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n/an/an/an/a 300n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224468
PNG
((1R,5S)-6-(5-cyano-6-methylpyridin-3-yl)-3,6-diaza...)
Show SMILES Cc1ncc(cc1C#N)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C12H14N4/c1-8-9(3-13)2-11(5-15-8)16-7-10-4-14-6-12(10)16/h2,5,10,12,14H,4,6-7H2,1H3/t10-,12-/m1/s1
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n/an/an/an/a 3.90E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224451
PNG
((1R,5R)-3-(5,6-dimethylpyridin-3-yl)-3,6-diazabicy...)
Show SMILES Cc1cc(cnc1C)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C12H17N3/c1-8-3-11(5-13-9(8)2)15-6-10-4-14-12(10)7-15/h3,5,10,12,14H,4,6-7H2,1-2H3/t10-,12+/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224487
PNG
((1R,5R)-3-(5,6-dichloropyridin-3-yl)-3,6-diaza-bic...)
Show SMILES Clc1cc(cnc1Cl)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224491
PNG
((1R,5R)-3-(5-methoxypyridin-3-yl)-3,6-diazabicyclo...)
Show SMILES COc1cncc(c1)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H15N3O/c1-15-10-2-9(4-12-5-10)14-6-8-3-13-11(8)7-14/h2,4-5,8,11,13H,3,6-7H2,1H3/t8-,11+/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224441
PNG
((1S,5S)-3-(6-chloropyridin-3-yl)-3,6-diaza-bicyclo...)
Show SMILES Clc1ccc(cn1)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-5-7-3-12-9(7)6-14/h1-2,4,7,9,12H,3,5-6H2/t7-,9+/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224469
PNG
(5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-2-b...)
Show SMILES NC(=O)c1cc(cnc1Br)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C11H13BrN4O/c12-10-8(11(13)17)1-7(3-15-10)16-5-6-2-14-4-9(6)16/h1,3,6,9,14H,2,4-5H2,(H2,13,17)/t6-,9-/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224453
PNG
((1S,5S)-3-(5-chloropyridin-3-yl)-3,6-diazabicyclo[...)
Show SMILES Clc1cncc(c1)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C10H12ClN3/c11-8-1-9(4-12-3-8)14-5-7-2-13-10(7)6-14/h1,3-4,7,10,13H,2,5-6H2/t7-,10+/m0/s1
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n/an/an/an/a 1.14E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224474
PNG
((1S,5R)-6-(5-ethynylpyridin-3-yl)-3,6-diazabicyclo...)
Show SMILES C#Cc1cncc(c1)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C12H13N3/c1-2-9-3-11(6-13-4-9)15-8-10-5-14-7-12(10)15/h1,3-4,6,10,12,14H,5,7-8H2/t10-,12-/m0/s1
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n/an/an/an/a 2.04E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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n/an/an/an/a 50n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224463
PNG
((1R,5S)-6-(5-chloropyridin-3-yl)-3,6-diazabicyclo[...)
Show SMILES Clc1cncc(c1)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C10H12ClN3/c11-8-1-9(4-13-3-8)14-6-7-2-12-5-10(7)14/h1,3-4,7,10,12H,2,5-6H2/t7-,10-/m1/s1
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n/an/an/an/a 8.10E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224452
PNG
((1R,5S)-6-(5-cyanopyridin-3-yl)-3,6-diazabicyclo[3...)
Show SMILES N#Cc1cncc(c1)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-7-9-4-14-6-11(9)15/h1,3,5,9,11,14H,4,6-7H2/t9-,11-/m1/s1
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n/an/an/an/a 5.90E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224470
PNG
((1S,5R)-6-(5-cyano-6-methylpyridin-3-yl)-3,6-diaza...)
Show SMILES Cc1ncc(cc1C#N)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C12H14N4/c1-8-9(3-13)2-11(5-15-8)16-7-10-4-14-6-12(10)16/h2,5,10,12,14H,4,6-7H2,1H3/t10-,12-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224475
PNG
(5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-N-h...)
Show SMILES ONC(=N)c1cncc(c1)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C11H15N5O/c12-11(15-17)7-1-9(4-13-2-7)16-6-8-3-14-5-10(8)16/h1-2,4,8,10,14,17H,3,5-6H2,(H2,12,15)/t8-,10-/m1/s1
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n/an/an/an/a 7.20E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224486
PNG
((1R,5S)-6-(5,6-dibromopyridin-3-yl)-3,6-diazabicyc...)
Show SMILES Brc1cc(cnc1Br)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C10H11Br2N3/c11-8-1-7(3-14-10(8)12)15-5-6-2-13-4-9(6)15/h1,3,6,9,13H,2,4-5H2/t6-,9-/m1/s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224477
PNG
((1S,5R)-6-(5-methoxypyridin-3-yl)-3,6-diazabicyclo...)
Show SMILES COc1cncc(c1)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C11H15N3O/c1-15-10-2-9(4-13-5-10)14-7-8-3-12-6-11(8)14/h2,4-5,8,11-12H,3,6-7H2,1H3/t8-,11-/m0/s1
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n/an/an/an/a 2.47E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224489
PNG
((1R,5S)-6-(5,6-dimethylpyridin-3-yl)-3,6-diazabicy...)
Show SMILES Cc1cc(cnc1C)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C12H17N3/c1-8-3-11(5-14-9(8)2)15-7-10-4-13-6-12(10)15/h3,5,10,12-13H,4,6-7H2,1-2H3/t10-,12-/m1/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224490
PNG
((1R,5S)-6-(6-chloropyridin-3-yl)-3,6-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-12-5-9(7)14/h1-2,4,7,9,12H,3,5-6H2/t7-,9-/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224443
PNG
((1S,5S)-3-(6-bromo-5-chloropyridin-3-yl)-3,6-diaza...)
Show SMILES Clc1cc(cnc1Br)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C10H11BrClN3/c11-10-8(12)1-7(3-14-10)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224446
PNG
((1R,5R)-3-(6-chloro-5-methylpyridin-3-yl)-3,6-diaz...)
Show SMILES Cc1cc(cnc1Cl)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H14ClN3/c1-7-2-9(4-14-11(7)12)15-5-8-3-13-10(8)6-15/h2,4,8,10,13H,3,5-6H2,1H3/t8-,10+/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224473
PNG
((1S,5S)-5-(3,6-diaza-bicyclo[3.2.0]hept-3-yl)nicot...)
Show SMILES N#Cc1cncc(c1)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-6-9-4-14-11(9)7-15/h1,3,5,9,11,14H,4,6-7H2/t9-,11+/m0/s1
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n/an/an/an/a 1.46E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224445
PNG
((1S,5R)-6-(5,6-dimethylpyridin-3-yl)-3,6-diazabicy...)
Show SMILES Cc1cc(cnc1C)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C12H17N3/c1-8-3-11(5-14-9(8)2)15-7-10-4-13-6-12(10)15/h3,5,10,12-13H,4,6-7H2,1-2H3/t10-,12-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224454
PNG
((1R,5S)-6-pyridin-3-yl-3,6-diaza-bicyclo[3.2.0]hep...)
Show SMILES C1[C@H]2CNC[C@H]2N1c1cccnc1
Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-12-6-10(8)13/h1-3,5,8,10,12H,4,6-7H2/t8-,10-/m1/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224456
PNG
((1S,5S)-3-(5-methoxypyridin-3-yl)-3,6-diazabicyclo...)
Show SMILES COc1cncc(c1)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H15N3O/c1-15-10-2-9(4-12-5-10)14-6-8-3-13-11(8)7-14/h2,4-5,8,11,13H,3,6-7H2,1H3/t8-,11+/m0/s1
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n/an/an/an/a 1.58E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224481
PNG
((1S,5R)-6-(5-methylpyridin-3-yl)-3,6-diazabicyclo[...)
Show SMILES Cc1cncc(c1)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C11H15N3/c1-8-2-10(5-12-3-8)14-7-9-4-13-6-11(9)14/h2-3,5,9,11,13H,4,6-7H2,1H3/t9-,11-/m0/s1
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n/an/an/an/a 1.04E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224483
PNG
((1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diaza-bic...)
Show SMILES Clc1cc(cnc1Cl)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224450
PNG
((1R,5S)-6-(6-bromo-5-methoxy-pyridin-3-yl)-3,6-dia...)
Show SMILES COc1cc(cnc1Br)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C11H14BrN3O/c1-16-10-2-8(4-14-11(10)12)15-6-7-3-13-5-9(7)15/h2,4,7,9,13H,3,5-6H2,1H3/t7-,9-/m1/s1
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n/an/an/an/a 900n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224464
PNG
((1S,5R)-6-(5,6-dichloropyridin-3-yl)-3,6-diazabicy...)
Show SMILES Clc1cc(cnc1Cl)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-5-6-2-13-4-9(6)15/h1,3,6,9,13H,2,4-5H2/t6-,9-/m0/s1
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n/an/an/an/a 900n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224485
PNG
((1S,5R)-6-(6-chloro-5-methylpyridin-3-yl)-3,6-diaz...)
Show SMILES Cc1cc(cnc1Cl)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C11H14ClN3/c1-7-2-9(4-14-11(7)12)15-6-8-3-13-5-10(8)15/h2,4,8,10,13H,3,5-6H2,1H3/t8-,10-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224479
PNG
((1R,5R)-5-(3,6-diaza-bicyclo[3.2.0]hept-3-yl)nicot...)
Show SMILES N#Cc1cncc(c1)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-6-9-4-14-11(9)7-15/h1,3,5,9,11,14H,4,6-7H2/t9-,11+/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224448
PNG
((1S,5R)-6-(6-chloropyridin-3-yl)-3,6-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-12-5-9(7)14/h1-2,4,7,9,12H,3,5-6H2/t7-,9-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224442
PNG
(5-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-b...)
Show SMILES Brc1ncc(cc1C#N)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H11BrN4/c12-11-7(2-13)1-9(4-15-11)16-5-8-3-14-10(8)6-16/h1,4,8,10,14H,3,5-6H2/t8-,10+/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224494
PNG
(3-{(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl}-5-c...)
Show SMILES [O-][n+]1cc(cc(c1)N1C[C@H]2CNC[C@@H]12)C#N
Show InChI InChI=1S/C11H12N4O/c12-2-8-1-10(7-14(16)5-8)15-6-9-3-13-4-11(9)15/h1,5,7,9,11,13H,3-4,6H2/t9-,11-/m1/s1
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n/an/an/an/a 7.50E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224484
PNG
((1S,5R)-6-(5-bromopyridin-3-yl)-3,6-diazabicyclo[3...)
Show SMILES Brc1cncc(c1)N1C[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C10H12BrN3/c11-8-1-9(4-13-3-8)14-6-7-2-12-5-10(7)14/h1,3-4,7,10,12H,2,5-6H2/t7-,10-/m0/s1
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n/an/an/an/a 1.14E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224488
PNG
((1R,5R)-3-(5-cyano-6-methylpyridin-3-yl)-3,6-diaza...)
Show SMILES Cc1ncc(cc1C#N)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C12H14N4/c1-8-9(3-13)2-11(5-14-8)16-6-10-4-15-12(10)7-16/h2,5,10,12,15H,4,6-7H2,1H3/t10-,12+/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224478
PNG
((1S,5S)-3-(5,6-dibromopyridin-3-yl)-3,6-diazabicyc...)
Show SMILES Brc1cc(cnc1Br)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C10H11Br2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224459
PNG
((1S,5S)-3-(6-bromo-5-methoxypyridin-3-yl)-3,6-diaz...)
Show SMILES COc1cc(cnc1Br)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H14BrN3O/c1-16-10-2-8(4-14-11(10)12)15-5-7-3-13-9(7)6-15/h2,4,7,9,13H,3,5-6H2,1H3/t7-,9+/m0/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224465
PNG
((1R,5S)-6-(6-chloro-5-methylpyridin-3-yl)-3,6-diaz...)
Show SMILES Cc1cc(cnc1Cl)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C11H14ClN3/c1-7-2-9(4-14-11(7)12)15-6-8-3-13-5-10(8)15/h2,4,8,10,13H,3,5-6H2,1H3/t8-,10-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224461
PNG
((1R,5S)-6-(5-ethynylpyridin-3-yl)-3,6-diazabicyclo...)
Show SMILES C#Cc1cncc(c1)N1C[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C12H13N3/c1-2-9-3-11(6-13-4-9)15-8-10-5-14-7-12(10)15/h1,3-4,6,10,12,14H,5,7-8H2/t10-,12-/m1/s1
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n/an/an/an/a 1.34E+4n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224449
PNG
((1S,5S)-3-(6-chloro-5-methylpyridin-3-yl)-3,6-diaz...)
Show SMILES Cc1cc(cnc1Cl)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H14ClN3/c1-7-2-9(4-14-11(7)12)15-5-8-3-13-10(8)6-15/h2,4,8,10,13H,3,5-6H2,1H3/t8-,10+/m0/s1
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n/an/an/an/a 300n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224476
PNG
((1S,5S)-3-(5-bromopyridin-3-yl)-3,6-diazabicyclo[3...)
Show SMILES Brc1cncc(c1)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C10H12BrN3/c11-8-1-9(4-12-3-8)14-5-7-2-13-10(7)6-14/h1,3-4,7,10,13H,2,5-6H2/t7-,10+/m0/s1
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n/an/an/an/a 6.50E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)


Article DOI: 10.1021/jm070755h
BindingDB Entry DOI: 10.7270/Q2F190ZZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%