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Compile Data Set for Download or QSAR

Found 552 hits with Last Name = 'arnold' and Initial = 'e'   
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))
BDBM50174139
PNG
(6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2[nH]1
Show InChI InChI=1S/C13H15N3/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3,(H,15,16)
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174152
PNG
(4,5-Dichloro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2...)
Show SMILES Clc1cc2C3CC(CNC3)c2cc1Cl
Show InChI InChI=1S/C11H11Cl2N/c12-10-2-8-6-1-7(5-14-4-6)9(8)3-11(10)13/h2-3,6-7,14H,1,4-5H2
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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0.110n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174145
PNG
(6-methyl-7-thia-5,13-diazatetracyclo[9.3.1.02,10.0...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2s1
Show InChI InChI=1S/C13H14N2S/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3
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0.120n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174148
PNG
(5-methyl-7-oxa-6,13-diazatetracyclo[9.3.1.02,10.04...)
Show SMILES Cc1noc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C13H14N2O/c1-7-10-3-11-8-2-9(6-14-5-8)12(11)4-13(10)16-15-7/h3-4,8-9,14H,2,5-6H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174154
PNG
(7-phenyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...)
Show SMILES C1C2CNCC1c1cc3n(cnc3cc21)-c1ccccc1
Show InChI InChI=1S/C18H17N3/c1-2-4-14(5-3-1)21-11-20-17-7-15-12-6-13(10-19-9-12)16(15)8-18(17)21/h1-5,7-8,11-13,19H,6,9-10H2
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0.140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174190
PNG
(6-methyl-7-oxa-5,13-diazatetracyclo[9.3.1.02,10.04...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2o1
Show InChI InChI=1S/C13H14N2O/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3
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0.150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174156
PNG
(5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca...)
Show SMILES C1C2CNCC1c1cc3[nH]cnc3cc21
Show InChI InChI=1S/C12H13N3/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-3,6-8,13H,1,4-5H2,(H,14,15)
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0.150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174170
PNG
(7-oxa-5,13-diazatetracyclo[9.3.1.02,10.04,8]pentad...)
Show SMILES C1C2CNCC1c1cc3ocnc3cc21
Show InChI InChI=1S/C12H12N2O/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-3,6-8,13H,1,4-5H2
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0.160n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174141
PNG
(1-(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-tr...)
Show SMILES CC(=O)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C13H15NO/c1-8(15)9-2-3-12-10-4-11(7-14-6-10)13(12)5-9/h2-3,5,10-11,14H,4,6-7H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174163
PNG
(6-methyl-7-propyl-5,7,13-triazatetracyclo[9.3.1.02...)
Show SMILES CCCn1c(C)nc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C16H21N3/c1-3-4-19-10(2)18-15-6-13-11-5-12(9-17-8-11)14(13)7-16(15)19/h6-7,11-12,17H,3-5,8-9H2,1-2H3
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0.190n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174147
PNG
(7-butyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]p...)
Show SMILES CCCCn1cnc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C16H21N3/c1-2-3-4-19-10-18-15-6-13-11-5-12(9-17-8-11)14(13)7-16(15)19/h6-7,10-12,17H,2-5,8-9H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174144
PNG
(4-Chloro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...)
Show SMILES Clc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H12ClN/c12-9-1-2-10-7-3-8(6-13-5-7)11(10)4-9/h1-2,4,7-8,13H,3,5-6H2
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0.200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
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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0.230n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
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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0.230n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174142
PNG
(7-isobutyl-6-methyl-5,7,13-triazatetracyclo[9.3.1....)
Show SMILES CC(C)Cn1c(C)nc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C17H23N3/c1-10(2)9-20-11(3)19-16-5-14-12-4-13(8-18-7-12)15(14)6-17(16)20/h5-6,10,12-13,18H,4,7-9H2,1-3H3
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0.280n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174158
PNG
(4,5-Difluoro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2...)
Show SMILES Fc1cc2C3CC(CNC3)c2cc1F
Show InChI InChI=1S/C11H11F2N/c12-10-2-8-6-1-7(5-14-4-6)9(8)3-11(10)13/h2-3,6-7,14H,1,4-5H2
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0.280n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174176
PNG
(7-isobutyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,...)
Show SMILES CC(C)Cn1cnc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C16H21N3/c1-10(2)8-19-9-18-15-4-13-11-3-12(7-17-6-11)14(13)5-16(15)19/h4-5,9-12,17H,3,6-8H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174180
PNG
(6,7-dimethyl-5,7,13-triazatetracyclo[9.3.1.02,10.0...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2n1C
Show InChI InChI=1S/C14H17N3/c1-8-16-13-4-11-9-3-10(7-15-6-9)12(11)5-14(13)17(8)2/h4-5,9-10,15H,3,6-7H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174183
PNG
(4-Trifluoromethyl-10-aza-tricyclo[6.3.1.0*2,7*]dod...)
Show SMILES FC(F)(F)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2
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0.330n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174177
PNG
(7-propyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...)
Show SMILES CCCn1cnc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C15H19N3/c1-2-3-18-9-17-14-5-12-10-4-11(8-16-7-10)13(12)6-15(14)18/h5-6,9-11,16H,2-4,7-8H2,1H3
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0.360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167457
PNG
(5,6-Difluoro-11-aza-tricyclo[7.3.1.0*2,7*]trideca-...)
Show SMILES Fc1ccc2C3CNCC(C3)Cc2c1F
Show InChI InChI=1S/C12H13F2N/c13-11-2-1-9-8-3-7(5-15-6-8)4-10(9)12(11)14/h1-2,7-8,15H,3-6H2
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0.440n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174143
PNG
(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...)
Show SMILES N#Cc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C12H12N2/c13-5-8-1-2-11-9-4-10(7-14-6-9)12(11)3-8/h1-3,9-10,14H,4,6-7H2
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0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174174
PNG
(6,7-dimethyl-5,8,14-triazatetracyclo[10.3.1.02,11....)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2nc1C
Show InChI InChI=1S/C15H17N3/c1-8-9(2)18-15-5-13-11-3-10(6-16-7-11)12(13)4-14(15)17-8/h4-5,10-11,16H,3,6-7H2,1-2H3
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0.550n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174164
PNG
(7-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...)
Show SMILES Cn1cnc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C13H15N3/c1-16-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16/h3-4,7-9,14H,2,5-6H2,1H3
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0.75n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174155
PNG
(6-methyl-7-neopentyl-5,7,13-triazatetracyclo[9.3.1...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2n1CC(C)(C)C
Show InChI InChI=1S/C18H25N3/c1-11-20-16-6-14-12-5-13(9-19-8-12)15(14)7-17(16)21(11)10-18(2,3)4/h6-7,12-13,19H,5,8-10H2,1-4H3
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0.75n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174173
PNG
(4-Fluoro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...)
Show SMILES Fc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H12FN/c12-9-1-2-10-7-3-8(6-13-5-7)11(10)4-9/h1-2,4,7-8,13H,3,5-6H2
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1.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167469
PNG
(5-Methoxy-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4...)
Show SMILES COc1ccc2C3CNCC(C3)Cc2c1
Show InChI InChI=1S/C13H17NO/c1-15-12-2-3-13-10(6-12)4-9-5-11(13)8-14-7-9/h2-3,6,9,11,14H,4-5,7-8H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174193
PNG
(4-Methyl-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...)
Show SMILES Cc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C12H15N/c1-8-2-3-11-9-5-10(7-13-6-9)12(11)4-8/h2-4,9-10,13H,5-7H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174178
PNG
(6-isopropyl-7-oxa-5,13-diazatetracyclo[9.3.1.02,10...)
Show SMILES CC(C)c1nc2cc3C4CC(CNC4)c3cc2o1
Show InChI InChI=1S/C15H18N2O/c1-8(2)15-17-13-4-11-9-3-10(7-16-6-9)12(11)5-14(13)18-15/h4-5,8-10,16H,3,6-7H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174188
PNG
(4-(Aziridine-1-sulfonyl)-10-aza-tricyclo[6.3.1.0*2...)
Show SMILES O=S(=O)(N1CC1)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C13H16N2O2S/c16-18(17,15-3-4-15)11-1-2-12-9-5-10(8-14-7-9)13(12)6-11/h1-2,6,9-10,14H,3-5,7-8H2
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167462
PNG
(5-Fluoro-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,...)
Show SMILES Fc1ccc2C3CNCC(C3)Cc2c1
Show InChI InChI=1S/C12H14FN/c13-11-1-2-12-9(5-11)3-8-4-10(12)7-14-6-8/h1-2,5,8,10,14H,3-4,6-7H2
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174172
PNG
(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...)
Show SMILES Oc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H13NO/c13-9-1-2-10-7-3-8(6-12-5-7)11(10)4-9/h1-2,4,7-8,12-13H,3,5-6H2
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2.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167481
PNG
(11-Aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-6...)
Show SMILES Oc1cccc2C3CNCC(C3)Cc12
Show InChI InChI=1S/C12H15NO/c14-12-3-1-2-10-9-4-8(5-11(10)12)6-13-7-9/h1-3,8-9,13-14H,4-7H2
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2.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50174187
PNG
(4-(Pyrrolidine-1-sulfonyl)-10-aza-tricyclo[6.3.1.0...)
Show SMILES O=S(=O)(N1CCCC1)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C15H20N2O2S/c18-20(19,17-5-1-2-6-17)13-3-4-14-11-7-12(10-16-9-11)15(14)8-13/h3-4,8,11-12,16H,1-2,5-7,9-10H2
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3.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM107767
PNG
(US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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4.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 1001-1018 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167459
PNG
(5-Nitro-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6...)
Show SMILES [O-][N+](=O)c1ccc2C3CNCC(C3)Cc2c1
Show InChI InChI=1S/C12H14N2O2/c15-14(16)11-1-2-12-9(5-11)3-8-4-10(12)7-13-6-8/h1-2,5,8,10,13H,3-4,6-7H2
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4.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167465
PNG
(4,6-dioxa-14-azatetracyclo[10.3.1.02,10.03,7]hexad...)
Show SMILES C1Oc2ccc3CC4CNCC(C4)c3c2O1
Show InChI InChI=1S/C13H15NO2/c1-2-11-13(16-7-15-11)12-9(1)3-8-4-10(12)6-14-5-8/h1-2,8,10,14H,3-7H2
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5.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167473
PNG
(4-Nitro-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6...)
Show SMILES [O-][N+](=O)c1ccc2CC3CNCC(C3)c2c1
Show InChI InChI=1S/C12H14N2O2/c15-14(16)11-2-1-9-3-8-4-10(7-13-6-8)12(9)5-11/h1-2,5,8,10,13H,3-4,6-7H2
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6.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167456
PNG
(6-Fluoro-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,...)
Show SMILES Fc1cccc2C3CNCC(C3)Cc12
Show InChI InChI=1S/C12H14FN/c13-12-3-1-2-10-9-4-8(5-11(10)12)6-14-7-9/h1-3,8-9,14H,4-7H2
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6.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167463
PNG
(5-Difluoromethoxy-11-aza-tricyclo[7.3.1.0*2,7*]tri...)
Show SMILES FC(F)Oc1ccc2C3CNCC(C3)Cc2c1
Show InChI InChI=1S/C13H15F2NO/c14-13(15)17-11-1-2-12-9(5-11)3-8-4-10(12)7-16-6-8/h1-2,5,8,10,13,16H,3-4,6-7H2
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50296715
PNG
(CHEMBL552005 | biphenyl-3-yl 1,4-diazabicyclo[3.2....)
Show SMILES O=C(Oc1cccc(c1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(6.24,-14.72,;6.52,-16.3,;8.03,-16.84,;9.26,-15.81,;8.97,-14.24,;10.19,-13.2,;11.71,-13.75,;11.99,-15.33,;10.76,-16.36,;13.43,-15.85,;13.7,-17.36,;15.14,-17.89,;16.32,-16.9,;16.05,-15.38,;14.6,-14.86,;5.3,-17.33,;5.68,-18.86,;4.64,-18.11,;3.2,-18.18,;3.12,-16.41,;3.76,-15.21,;3.84,-16.69,;2.48,-17.42,;2.17,-18.92,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(22-14-13-21-11-9-18(22)10-12-21)24-19-8-4-7-17(15-19)16-5-2-1-3-6-16/h1-8,15,18H,9-14H2
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nAChR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 19: 4747-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.059
BindingDB Entry DOI: 10.7270/Q21G0N69
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50296724
PNG
(3-bromophenyl 1,4-diazabicyclo[3.2.2]nonane-4-carb...)
Show SMILES Brc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(35.7,-48.55,;34.25,-48.03,;33.98,-46.5,;32.51,-45.98,;31.34,-46.98,;31.62,-48.49,;30.44,-49.49,;28.98,-48.96,;28.71,-47.44,;27.8,-49.95,;28.17,-51.43,;27.16,-50.71,;25.78,-50.77,;25.7,-49.07,;26.32,-47.91,;26.39,-49.33,;25.09,-50.04,;24.79,-51.48,;33.07,-49.02,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-11-2-1-3-13(10-11)19-14(18)17-9-8-16-6-4-12(17)5-7-16/h1-3,10,12H,4-9H2
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9.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nAChR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 19: 4747-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.059
BindingDB Entry DOI: 10.7270/Q21G0N69
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50296717
PNG
(3-benzoylphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES O=C(Oc1cccc(c1)C(=O)c1ccccc1)N1CCN2CCC1CC2 |TLB:1:17:22.21:24.25,(27.34,-3.85,;27.34,-5.38,;28.68,-6.15,;30.01,-5.38,;30,-3.85,;31.33,-3.07,;32.68,-3.84,;32.68,-5.38,;31.34,-6.15,;34.01,-6.15,;35.34,-5.38,;34.01,-7.69,;32.67,-8.46,;32.67,-10,;34.01,-10.77,;35.34,-10,;35.34,-8.46,;26.01,-6.15,;26.12,-7.67,;25.25,-6.78,;23.88,-6.61,;24.1,-4.92,;24.91,-3.89,;24.73,-5.3,;23.33,-5.76,;22.79,-7.14,)|
Show InChI InChI=1S/C21H22N2O3/c24-20(16-5-2-1-3-6-16)17-7-4-8-19(15-17)26-21(25)23-14-13-22-11-9-18(23)10-12-22/h1-8,15,18H,9-14H2
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nAChR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 19: 4747-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.059
BindingDB Entry DOI: 10.7270/Q21G0N69
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167468
PNG
(5-Ethoxy-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,...)
Show SMILES CCOc1ccc2C3CNCC(C3)Cc2c1
Show InChI InChI=1S/C14H19NO/c1-2-16-13-3-4-14-11(7-13)5-10-6-12(14)9-15-8-10/h3-4,7,10,12,15H,2,5-6,8-9H2,1H3
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167476
PNG
(5-Methoxy-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4...)
Show SMILES COc1ccc2C3CNCC(C3)Cc2c1O
Show InChI InChI=1S/C13H17NO2/c1-16-12-3-2-10-9-4-8(6-14-7-9)5-11(10)13(12)15/h2-3,8-9,14-15H,4-7H2,1H3
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50296713
PNG
(3-phenoxyphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES O=C(Oc1cccc(Oc2ccccc2)c1)N1CCN2CCC1CC2 |TLB:1:16:21.20:23.24,(-5.13,-23.49,;-4.85,-25.07,;-3.34,-25.62,;-2.12,-24.58,;-2.4,-23.01,;-1.18,-21.98,;.33,-22.52,;.61,-24.1,;2.06,-24.63,;3.24,-23.64,;4.68,-24.17,;5.86,-23.18,;5.59,-21.66,;4.13,-21.14,;2.96,-22.13,;-.61,-25.13,;-6.08,-26.1,;-5.7,-27.63,;-6.74,-26.88,;-8.18,-26.95,;-8.26,-25.18,;-7.61,-23.98,;-7.54,-25.46,;-8.89,-26.19,;-9.21,-27.69,)|
Show InChI InChI=1S/C20H22N2O3/c23-20(22-14-13-21-11-9-16(22)10-12-21)25-19-8-4-7-18(15-19)24-17-5-2-1-3-6-17/h1-8,15-16H,9-14H2
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nAChR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 19: 4747-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.059
BindingDB Entry DOI: 10.7270/Q21G0N69
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50167479
PNG
(3-Nitro-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6...)
Show SMILES [O-][N+](=O)c1cccc2CC3CNCC(C3)c12
Show InChI InChI=1S/C12H14N2O2/c15-14(16)11-3-1-2-9-4-8-5-10(12(9)11)7-13-6-8/h1-3,8,10,13H,4-7H2
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
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