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PubMed code 16934977

Compile data set for download or QSAR
Found 16 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))
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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PubMed
0.0558n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50194072
PNG
(CHEMBL220476 | syn-7-(6-chloro-pyridin-3-yl)-2-aza...)
Show SMILES Clc1ccc(cn1)C1C2CCC1NC2
Show InChI InChI=1S/C11H13ClN2/c12-10-4-2-8(6-14-10)11-7-1-3-9(11)13-5-7/h2,4,6-7,9,11,13H,1,3,5H2
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0.0785n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50194070
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2
Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2
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0.127n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50194071
PNG
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CC1CN2
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2
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0.182n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50194070
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2
Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2
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0.343n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50194068
PNG
(7-(3-methylisoxazol-5-yl)-6-aza-bicyclo[2.2.1]hept...)
Show SMILES Cc1cc(on1)C1C2CCC1NC2
Show InChI InChI=1S/C10H14N2O/c1-6-4-9(13-12-6)10-7-2-3-8(10)11-5-7/h4,7-8,10-11H,2-3,5H2,1H3
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0.763n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50194069
PNG
(2-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CNC1C2
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2
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PubMed
0.771n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50194071
PNG
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CC1CN2
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2
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1.23n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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2.59n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50194069
PNG
(2-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CNC1C2
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2
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3.90n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2
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/t8-,9+,10+/m1/s1
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4.90n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50194074
PNG
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CC1CN2
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2
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6.30n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
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/t8-,9+,10+/m0/s1
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7n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50194073
PNG
(CHEMBL535389 | homoepibatidine)
Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2
Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2
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13n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50194069
PNG
(2-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CNC1C2
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2
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1.60E+3n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50194071
PNG
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)
Show SMILES Clc1ccc(cn1)C1CC2CC1CN2
Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2
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3.30E+3n/an/an/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes


Bioorg Med Chem Lett 16: 5493-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.049
BindingDB Entry DOI: 10.7270/Q2D79C7V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%