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10 similar compounds to monomer 50323671

Compile data set for download or QSAR
Wt: 280.3
BDBM50323669
Wt: 310.3
BDBM50323670
Wt: 296.3
BDBM50323672
Wt: 296.3
BDBM50323673
Wt: 298.3
BDBM50323674
Wt: 298.3
BDBM50323675
Wt: 295.3
BDBM50323676
Wt: 295.3
BDBM50323677
Wt: 280.3
BDBM50323687
Wt: 310.3
BDBM50323688

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50323669,50323670,50323672,50323673,50323674,50323675,50323676,50323677,50323687,50323688   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323673
PNG
((1S,6R,5S)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2
Show InChI InChI=1/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/s2
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149n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/s2
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252n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/s2
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255n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323670
PNG
(CHEMBL1209073 | rac-exo-[6-(2-(5-Methoxypyridin-3-...)
Show SMILES COc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C19H22N2O2/c1-22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)23-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20H,6-7,9,11H2,1H3/t13-,15-,19+/s2
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>309n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323688
PNG
(CHEMBL1209072 | rac-exo-[6-(2-(4-Methoxypyridin-3-...)
Show SMILES COc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C19H22N2O2/c1-22-17-6-7-20-12-16(17)15-4-2-3-5-18(15)23-19-9-13-8-14(19)11-21-10-13/h2-7,12-14,19,21H,8-11H2,1H3/t13-,14-,19+/s2
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477n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323677
PNG
(CHEMBL1209185 | rac-exo-[6-(2-(5-Aminopyridin-3-yl...)
Show SMILES Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H21N3O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10,19H2/t12-,14-,18+/s2
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>575n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323687
PNG
((1S,6R,6S)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@H]2C[C@@H](Oc3ccccc3-c3cccnc3)[C@@H]1CNC2
Show InChI InChI=1/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/s2
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>614n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323669
PNG
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2
Show InChI InChI=1/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/s2
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>832n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323676
PNG
(CHEMBL1209184 | rac-exo-[6-(2-(4-Aminopyridin-3-yl...)
Show SMILES Nc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H21N3O/c19-16-5-6-20-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-21-9-12/h1-6,11-13,18,21H,7-10H2,(H2,19,20)/t12-,13-,18+/s2
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>1.04E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323669
PNG
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2
Show InChI InChI=1/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/s2
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>1.31E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323675
PNG
(CHEMBL1209183 | rac-exo-[6-(2-(5-Fluoropyridin-3-y...)
Show SMILES Fc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H19FN2O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10H2/t12-,14-,18+/s2
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>1.50E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/s2
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1.58E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/s2
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1.58E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50323674
PNG
(CHEMBL1209126 | rac-exo-[6-(2-(4-Fluoropyridin-3-y...)
Show SMILES Fc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H19FN2O/c19-16-5-6-20-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-21-9-12/h1-6,11-13,18,21H,7-10H2/t12-,13-,18+/s2
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1.78E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323674
PNG
(CHEMBL1209126 | rac-exo-[6-(2-(4-Fluoropyridin-3-y...)
Show SMILES Fc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H19FN2O/c19-16-5-6-20-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-21-9-12/h1-6,11-13,18,21H,7-10H2/t12-,13-,18+/s2
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1.86E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50323669
PNG
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2
Show InChI InChI=1/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/s2
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2.16E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323669
PNG
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2
Show InChI InChI=1/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/s2
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3.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323675
PNG
(CHEMBL1209183 | rac-exo-[6-(2-(5-Fluoropyridin-3-y...)
Show SMILES Fc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H19FN2O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10H2/t12-,14-,18+/s2
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>1.35E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/s2
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PubMed
>1.35E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323677
PNG
(CHEMBL1209185 | rac-exo-[6-(2-(5-Aminopyridin-3-yl...)
Show SMILES Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2
Show InChI InChI=1/C18H21N3O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10,19H2/t12-,14-,18+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.50E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323673
PNG
((1S,6R,5S)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2
Show InChI InChI=1/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.50E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair