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Compile Data Set for Download or QSAR

Found 554 hits with Last Name = 'o''neill' and Initial = 'bt'   
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))
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))
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))
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))
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))
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))
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))
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))
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


(Rattus norvegicus (Rat))
BDBM50309873
PNG
(4-(6-Chlorooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(-1.41,-19.11,;-1.97,-20.56,;-.99,-21.77,;-1.55,-23.21,;-3.08,-23.45,;-3.94,-24.73,;-5.43,-24.32,;-5.49,-22.78,;-4.05,-22.24,;-3.49,-20.8,;-6.76,-25.09,;-6.39,-26.56,;-7.4,-25.84,;-8.78,-25.91,;-8.85,-24.2,;-8.23,-23.06,;-8.17,-24.47,;-9.47,-25.17,;-9.77,-26.61,)|
Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
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
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50309864
PNG
(4-(5-Chlorobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Clc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(33.87,4.67,;32.34,4.44,;31.36,5.65,;29.84,5.41,;29.28,3.97,;27.84,3.42,;27.9,1.89,;29.4,1.48,;30.25,2.76,;31.78,2.99,;26.57,1.11,;26.94,-.35,;25.94,.37,;24.56,.3,;24.48,2.01,;25.1,3.15,;25.16,1.74,;23.87,1.03,;23.57,-.41,)|
Show InChI InChI=1S/C14H16ClN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
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))
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))
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))
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


(Rattus norvegicus (Rat))
BDBM50309897
PNG
(2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-5-(pyrrolidi...)
Show SMILES C1CCN(C1)c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:10:14:19.18:21.22,(20.91,-33.41,;20.89,-31.87,;19.42,-31.41,;18.52,-32.67,;19.45,-33.91,;16.98,-32.69,;16,-31.49,;14.48,-31.72,;13.92,-33.16,;12.48,-33.7,;12.54,-35.24,;14.04,-35.65,;14.89,-34.37,;16.41,-34.13,;11.22,-36.01,;11.58,-37.48,;10.58,-36.75,;9.2,-36.82,;9.13,-35.12,;9.75,-33.98,;9.81,-35.39,;8.51,-36.09,;8.21,-37.53,)|
Show InChI InChI=1S/C17H23N5O/c1-2-8-21(7-1)15-4-3-14-16(18-15)19-17(23-14)22-12-11-20-9-5-13(22)6-10-20/h3-4,13H,1-2,5-12H2
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1.91n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309864
PNG
(4-(5-Chlorobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Clc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(33.87,4.67,;32.34,4.44,;31.36,5.65,;29.84,5.41,;29.28,3.97,;27.84,3.42,;27.9,1.89,;29.4,1.48,;30.25,2.76,;31.78,2.99,;26.57,1.11,;26.94,-.35,;25.94,.37,;24.56,.3,;24.48,2.01,;25.1,3.15,;25.16,1.74,;23.87,1.03,;23.57,-.41,)|
Show InChI InChI=1S/C14H16ClN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
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1.92n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
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))
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


(Rattus norvegicus (Rat))
BDBM50309872
PNG
(4-(6-Bromooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabic...)
Show SMILES Brc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(31.84,-7.59,;31.28,-9.04,;32.26,-10.25,;31.7,-11.69,;30.17,-11.93,;29.32,-13.21,;27.82,-12.8,;27.76,-11.26,;29.2,-10.72,;29.76,-9.28,;26.49,-13.57,;26.86,-15.04,;25.85,-14.32,;24.48,-14.39,;24.4,-12.68,;25.02,-11.54,;25.08,-12.95,;23.79,-13.65,;23.49,-15.09,)|
Show InChI InChI=1S/C13H15BrN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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2.08n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309865
PNG
(4-(5-Bromobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2]...)
Show SMILES Brc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(.18,-3.78,;-1.35,-4.01,;-2.33,-2.8,;-3.85,-3.04,;-4.41,-4.48,;-5.85,-5.03,;-5.79,-6.56,;-4.3,-6.97,;-3.44,-5.69,;-1.92,-5.46,;-7.12,-7.33,;-6.75,-8.8,;-7.76,-8.08,;-9.13,-8.15,;-9.21,-6.44,;-8.59,-5.3,;-8.53,-6.71,;-9.82,-7.41,;-10.12,-8.86,)|
Show InChI InChI=1S/C14H16BrN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
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2.15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309880
PNG
(4-(6-Phenyloxazolo[5,4-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES C1CN2CCC1N(CC2)c1nc2cc(cnc2o1)-c1ccccc1 |TLB:9:6:0.1:4.3,(-10.27,-43.52,;-10.9,-44.66,;-10.81,-46.36,;-11.81,-47.07,;-11.51,-45.63,;-10.21,-44.93,;-8.8,-45.55,;-8.44,-47.01,;-9.44,-46.29,;-7.48,-44.78,;-5.99,-45.19,;-5.14,-43.91,;-3.61,-43.68,;-3.05,-42.24,;-4.03,-41.03,;-5.55,-41.27,;-6.1,-42.7,;-7.54,-43.25,;-1.71,-41.48,;-.39,-42.27,;.96,-41.51,;.97,-39.96,;-.37,-39.18,;-1.71,-39.94,)|
Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)15-12-17-18(20-13-15)24-19(21-17)23-11-10-22-8-6-16(23)7-9-22/h1-5,12-13,16H,6-11H2
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2.31n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309879
PNG
(2-(6-Chlorooxazolo[5,4-b]pyridin-2-yl)-2,5-diazabi...)
Show SMILES Clc1cnc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(32.86,-26.98,;31.33,-27.22,;30.35,-26.01,;28.83,-26.25,;28.27,-27.69,;26.83,-28.23,;26.89,-29.77,;28.39,-30.18,;29.24,-28.9,;30.77,-28.66,;25.56,-30.54,;25.93,-32.01,;24.92,-31.29,;23.55,-31.36,;23.47,-29.65,;24.09,-28.51,;24.15,-29.92,;22.85,-30.62,;22.55,-32.06,)|
Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)19-13(16-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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2.59n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309888
PNG
(4-(6-Chloro-5-methyloxazolo[4,5-b]pyridin-2-yl)-1,...)
Show SMILES Cc1nc2nc(oc2cc1Cl)N1CCN2CCC1CC2 |TLB:5:11:16.15:18.19,(1.04,-10.22,;-.49,-10.46,;-1.05,-11.9,;-2.58,-12.13,;-3.43,-13.41,;-4.92,-13,;-4.98,-11.47,;-3.54,-10.92,;-2.99,-9.49,;-1.46,-9.25,;-.9,-7.79,;-6.25,-13.78,;-5.89,-15.24,;-6.89,-14.52,;-8.27,-14.59,;-8.34,-12.89,;-7.73,-11.74,;-7.66,-13.15,;-8.96,-13.86,;-9.26,-15.3,)|
Show InChI InChI=1S/C14H17ClN4O/c1-9-11(15)8-12-13(16-9)17-14(20-12)19-7-6-18-4-2-10(19)3-5-18/h8,10H,2-7H2,1H3
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3.19n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309892
PNG
(2-(5-Phenyloxazolo[4,5-b]pyridin-2-yl)-2,5-diazabi...)
Show SMILES C1CN2CCC1N(CC2)c1nc2nc(ccc2o1)-c1ccccc1 |TLB:9:6:0.1:4.3,(-8.33,-22.75,;-8.95,-23.89,;-8.87,-25.59,;-9.86,-26.3,;-9.56,-24.86,;-8.27,-24.16,;-6.86,-24.78,;-6.49,-26.25,;-7.5,-25.53,;-5.53,-24.01,;-4.04,-24.42,;-3.19,-23.14,;-1.66,-22.9,;-1.1,-21.46,;-2.07,-20.26,;-3.6,-20.5,;-4.15,-21.93,;-5.59,-22.48,;.25,-20.71,;1.57,-21.5,;2.92,-20.74,;2.94,-19.2,;1.6,-18.41,;.26,-19.17,)|
Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)16-6-7-17-18(20-16)21-19(24-17)23-13-12-22-10-8-15(23)9-11-22/h1-7,15H,8-13H2
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3.22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50309866
PNG
(4-(5-Methylbenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Cc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(11.7,-3.08,;10.17,-3.31,;9.19,-2.1,;7.67,-2.34,;7.11,-3.78,;5.67,-4.33,;5.73,-5.86,;7.23,-6.27,;8.08,-4.99,;9.61,-4.76,;4.4,-6.63,;4.77,-8.1,;3.76,-7.38,;2.39,-7.45,;2.31,-5.74,;2.93,-4.6,;2.99,-6.01,;1.7,-6.71,;1.4,-8.15,)|
Show InChI InChI=1S/C15H19N3O/c1-11-2-3-14-13(10-11)16-15(19-14)18-9-8-17-6-4-12(18)5-7-17/h2-3,10,12H,4-9H2,1H3
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3.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309893
PNG
(2-(5-(2-Fluorophenyl)oxazolo[4,5-b]pyridin-2-yl)-2...)
Show SMILES Fc1ccccc1-c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:12:16:21.20:23.24,(13.59,-22.93,;13.62,-21.39,;14.96,-20.63,;14.98,-19.08,;13.64,-18.29,;12.3,-19.05,;12.29,-20.59,;10.94,-21.35,;9.97,-20.14,;8.45,-20.38,;7.89,-21.81,;6.45,-22.36,;6.51,-23.89,;8,-24.3,;8.86,-23.02,;10.38,-22.79,;5.18,-24.67,;5.55,-26.13,;4.55,-25.41,;3.17,-25.48,;3.1,-23.78,;3.71,-22.63,;3.77,-24.05,;2.48,-24.75,;2.18,-26.19,)|
Show InChI InChI=1S/C19H19FN4O/c20-15-4-2-1-3-14(15)16-5-6-17-18(21-16)22-19(25-17)24-12-11-23-9-7-13(24)8-10-23/h1-6,13H,7-12H2
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3.45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50309863
PNG
(4-(5-Fluorobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Fc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(22.74,5.07,;21.21,4.83,;20.23,6.04,;18.71,5.8,;18.15,4.37,;16.71,3.82,;16.77,2.29,;18.27,1.88,;19.12,3.16,;20.65,3.39,;15.44,1.51,;15.81,.04,;14.8,.77,;13.43,.7,;13.35,2.4,;13.97,3.55,;14.03,2.13,;12.74,1.43,;12.44,-.01,)|
Show InChI InChI=1S/C14H16FN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
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3.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
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