BindingDB logo
myBDB logout

PubMed code 19576766

Compile data set for download or QSAR
Found 86 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-7


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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 subunit alpha-7


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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 subunit alpha-7


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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 subunit alpha-7


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296747
PNG
(3-benzoyl-4-bromophenyl 1,4-diazabicyclo[3.2.2]non...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1 |TLB:6:8:13.12:15.16,(17.84,-19.26,;16.66,-20.26,;15.15,-19.71,;13.93,-20.75,;14.21,-22.32,;12.98,-23.35,;11.48,-22.81,;11.19,-21.22,;10.25,-23.84,;10.63,-25.37,;9.59,-24.62,;8.15,-24.69,;8.06,-22.92,;8.71,-21.72,;8.78,-23.2,;7.43,-23.93,;7.12,-25.43,;15.72,-22.87,;16.95,-21.84,;18.39,-22.36,;18.66,-23.88,;19.57,-21.37,;21.02,-21.91,;22.19,-20.92,;21.93,-19.4,;20.47,-18.88,;19.3,-19.87,)|
Show InChI InChI=1S/C21H21BrN2O3/c22-19-7-6-17(14-18(19)20(25)15-4-2-1-3-5-15)27-21(26)24-13-12-23-10-8-16(24)9-11-23/h1-7,14,16H,8-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296748
PNG
(CHEMBL564850 | naphthalen-2-yl 1,4-diazabicyclo[3....)
Show SMILES O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2 |TLB:1:13:18.17:20.21,(26.32,-21.11,;26.59,-22.64,;28.05,-23.16,;29.23,-22.17,;28.95,-20.65,;30.13,-19.66,;31.59,-20.18,;32.76,-19.19,;34.21,-19.71,;34.49,-21.24,;33.3,-22.23,;31.85,-21.7,;30.68,-22.7,;25.41,-23.63,;25.78,-25.11,;24.78,-24.38,;23.39,-24.45,;23.31,-22.75,;23.93,-21.59,;24,-23.01,;22.7,-23.71,;22.4,-25.16,)|
Show InChI InChI=1S/C18H20N2O2/c21-18(20-12-11-19-9-7-16(20)8-10-19)22-17-6-5-14-3-1-2-4-15(14)13-17/h1-6,13,16H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 23n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296721
PNG
(CHEMBL550054 | m-tolyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Cc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(23.73,2.25,;22.27,2.79,;22,4.31,;20.54,4.83,;19.36,3.84,;19.64,2.32,;18.46,1.33,;17.01,1.85,;16.73,3.37,;15.83,.86,;16.19,-.62,;15.18,.1,;13.8,.03,;13.72,1.74,;14.35,2.9,;14.41,1.47,;13.11,.77,;12.81,-.67,;21.08,1.79,)|
Show InChI InChI=1S/C15H20N2O2/c1-12-3-2-4-14(11-12)19-15(18)17-10-9-16-7-5-13(17)6-8-16/h2-4,11,13H,5-10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 25n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296745
PNG
(3,4-dichlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4...)
Show SMILES Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1Cl |TLB:6:8:13.12:15.16,(13.61,-10.33,;12.48,-11.28,;11.02,-10.76,;9.84,-11.76,;10.12,-13.27,;8.94,-14.27,;7.48,-13.74,;7.21,-12.22,;6.3,-14.73,;6.67,-16.21,;5.67,-15.49,;4.28,-15.56,;4.2,-13.85,;4.82,-12.69,;4.89,-14.11,;3.59,-14.82,;3.29,-16.26,;11.57,-13.8,;12.75,-12.81,;14.14,-13.31,)|
Show InChI InChI=1S/C14H16Cl2N2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 31n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296726
PNG
(3-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Clc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(2.4,-48.55,;.95,-48.03,;.68,-46.5,;-.79,-45.98,;-1.96,-46.98,;-1.68,-48.49,;-2.86,-49.49,;-4.32,-48.96,;-4.59,-47.44,;-5.5,-49.95,;-5.13,-51.43,;-6.14,-50.71,;-7.52,-50.77,;-7.6,-49.07,;-6.98,-47.91,;-6.91,-49.33,;-8.21,-50.04,;-8.51,-51.48,;-.24,-49.02,)|
Show InChI InChI=1S/C14H17ClN2O2/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 32n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296743
PNG
(4-bromo-3-chlorophenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(1.98,-4.06,;.58,-3.56,;-.6,-4.55,;-2.05,-4.02,;-3.23,-5.01,;-4.68,-4.49,;-4.96,-2.96,;-5.86,-5.48,;-5.5,-6.96,;-6.5,-6.23,;-7.89,-6.31,;-7.97,-4.6,;-7.35,-3.44,;-7.28,-4.86,;-8.58,-5.57,;-8.88,-7.01,;-2.32,-2.5,;-1.15,-1.51,;.31,-2.03,;1.45,-1.08,)|
Show InChI InChI=1S/C14H16BrClN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 33n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296728
PNG
(3-fluorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Fc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(22.94,-41.26,;21.49,-40.73,;21.22,-39.21,;19.75,-38.69,;18.58,-39.68,;18.86,-41.2,;17.68,-42.19,;16.22,-41.67,;15.95,-40.15,;15.04,-42.66,;15.41,-44.14,;14.4,-43.41,;13.02,-43.48,;12.94,-41.77,;13.56,-40.62,;13.63,-42.04,;12.33,-42.74,;12.03,-44.19,;20.3,-41.73,)|
Show InChI InChI=1S/C14H17FN2O2/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 35n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296742
PNG
(1,4-diazabicyclo[3.2.2]nonane-(4-bromo)-phenyl car...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 38n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296744
PNG
(4-bromo-3-methylphenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(25.56,-5.32,;24.16,-4.82,;22.98,-5.81,;21.53,-5.28,;20.35,-6.28,;18.89,-5.75,;18.62,-4.22,;17.71,-6.74,;18.08,-8.22,;17.08,-7.5,;15.69,-7.57,;15.61,-5.86,;16.23,-4.7,;16.3,-6.12,;15,-6.83,;14.7,-8.27,;21.26,-3.76,;22.43,-2.77,;23.89,-3.29,;25.02,-2.34,)|
Show InChI InChI=1S/C15H19BrN2O2/c1-11-10-13(2-3-14(11)16)20-15(19)18-9-8-17-6-4-12(18)5-7-17/h2-3,10,12H,4-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 50n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296727
PNG
(4-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(35.17,-37.92,;33.99,-38.92,;34.26,-40.44,;33.08,-41.43,;31.63,-40.9,;30.45,-41.9,;29,-41.37,;28.73,-39.85,;27.82,-42.37,;28.18,-43.84,;27.18,-43.12,;25.79,-43.19,;25.72,-41.48,;26.33,-40.32,;26.4,-41.74,;25.1,-42.45,;24.8,-43.89,;31.35,-39.39,;32.53,-38.39,)|
Show InChI InChI=1S/C14H17ClN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 79n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296719
PNG
(3-methoxyphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES COc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:8:10:15.14:17.18,(1.83,-7.16,;1.55,-5.64,;.11,-5.11,;-.17,-3.58,;-1.63,-3.06,;-2.81,-4.06,;-2.53,-5.57,;-3.7,-6.56,;-5.16,-6.04,;-5.43,-4.52,;-6.34,-7.03,;-5.98,-8.51,;-6.98,-7.79,;-8.36,-7.85,;-8.44,-6.14,;-7.82,-5,;-7.75,-6.41,;-9.05,-7.12,;-9.36,-8.56,;-1.08,-6.1,)|
Show InChI InChI=1S/C15H20N2O3/c1-19-13-3-2-4-14(11-13)20-15(18)17-10-9-16-7-5-12(17)6-8-16/h2-4,11-12H,5-10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 79n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296746
PNG
(4-chloro-3-fluorophenyl 1,4-diazabicyclo[3.2.2]non...)
Show SMILES Fc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Cl |TLB:5:7:12.11:14.15,(25.98,-13.32,;24.59,-12.82,;23.41,-13.81,;21.96,-13.28,;20.77,-14.27,;19.32,-13.75,;19.05,-12.22,;18.14,-14.74,;18.5,-16.22,;17.5,-15.49,;16.12,-15.57,;16.04,-13.86,;16.66,-12.7,;16.73,-14.12,;15.43,-14.83,;15.12,-16.27,;21.68,-11.76,;22.86,-10.77,;24.32,-11.29,;25.45,-10.34,)|
Show InChI InChI=1S/C14H16ClFN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 86n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296718
PNG
(4-benzoylphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES O=C(Oc1ccc(cc1)C(=O)c1ccccc1)N1CCN2CCC1CC2 |TLB:1:17:22.21:24.25,(9.05,-5.68,;9.33,-7.19,;10.77,-7.72,;11.96,-6.73,;13.4,-7.26,;14.58,-6.26,;14.31,-4.75,;12.85,-4.22,;11.67,-5.22,;15.49,-3.75,;15.21,-2.23,;16.94,-4.27,;17.21,-5.79,;18.66,-6.32,;19.84,-5.32,;19.56,-3.8,;18.11,-3.27,;8.14,-8.19,;8.51,-9.66,;7.51,-8.94,;6.13,-9.01,;6.04,-7.3,;6.67,-6.15,;6.74,-7.56,;5.44,-8.27,;5.13,-9.72,)|
Show InChI InChI=1S/C21H22N2O3/c24-20(16-4-2-1-3-5-16)17-6-8-19(9-7-17)26-21(25)23-15-14-22-12-10-18(23)11-13-22/h1-9,18H,10-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 95n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296749
PNG
(CHEMBL559244 | Quinuclidine carbamate)
Show SMILES Brc1ccc(NC(=O)OC2CN3CCC2C3)cc1 |THB:8:9:12.13:15|
Show InChI InChI=1S/C13H15BrN2O2/c14-10-1-3-11(4-2-10)15-13(17)18-12-8-16-6-5-9(12)7-16/h1-4,9,12H,5-8H2,(H,15,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 167n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296722
PNG
(CHEMBL554169 | p-tolyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Cc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(11.85,5.86,;10.66,4.86,;10.94,3.34,;9.75,2.35,;8.3,2.88,;7.12,1.88,;5.67,2.41,;5.4,3.93,;4.48,1.41,;4.85,-.06,;3.85,.66,;2.47,.59,;2.39,2.31,;3,3.45,;3.07,2.03,;1.77,1.33,;1.47,-.12,;8.03,4.39,;9.2,5.39,)|
Show InChI InChI=1S/C15H20N2O2/c1-12-2-4-14(5-3-12)19-15(18)17-11-10-16-8-6-13(17)7-9-16/h2-5,13H,6-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 178n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296720
PNG
(4-methoxyphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES COc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:7:9:14.13:16.17,(36.81,4.41,;35.35,4.94,;34.17,3.94,;34.44,2.42,;33.26,1.42,;31.82,1.96,;30.63,.96,;29.18,1.48,;28.91,3.01,;28,.49,;28.37,-.98,;27.36,-.26,;25.97,-.33,;25.89,1.38,;26.52,2.53,;26.58,1.12,;25.28,.41,;24.98,-1.04,;31.54,3.47,;32.71,4.46,)|
Show InChI InChI=1S/C15H20N2O3/c1-19-13-2-4-14(5-3-13)20-15(18)17-11-10-16-8-6-12(17)7-9-16/h2-5,12H,6-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 201n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296752
PNG
(4-(pyridin-3-yl)phenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES O=C(Oc1ccc(cc1)-c1cccnc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(28.87,-23.44,;28.87,-24.98,;30.21,-25.74,;31.54,-24.97,;32.9,-25.77,;34.28,-24.97,;34.28,-23.38,;32.9,-22.6,;31.53,-23.39,;35.61,-22.61,;35.6,-21.07,;36.92,-20.29,;38.26,-21.06,;38.27,-22.6,;36.95,-23.36,;27.54,-25.74,;27.64,-27.3,;26.76,-26.39,;25.35,-26.22,;25.57,-24.47,;26.4,-23.42,;26.22,-24.86,;24.78,-25.34,;24.22,-26.75,)|
Show InChI InChI=1S/C19H21N3O2/c23-19(22-13-12-21-10-7-17(22)8-11-21)24-18-5-3-15(4-6-18)16-2-1-9-20-14-16/h1-6,9,14,17H,7-8,10-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 203n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296751
PNG
(4-(pyridin-4-yl)phenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES O=C(Oc1ccc(cc1)-c1ccncc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(-3.61,-32.7,;-3.61,-34.24,;-2.27,-35,;-.94,-34.24,;.42,-35.05,;1.8,-34.24,;1.8,-32.65,;.41,-31.87,;-.96,-32.66,;3.13,-31.88,;4.47,-32.65,;5.81,-31.88,;5.8,-30.35,;4.47,-29.57,;3.13,-30.35,;-4.94,-35,;-4.85,-36.56,;-5.73,-35.64,;-7.13,-35.47,;-6.92,-33.72,;-6.08,-32.68,;-6.26,-34.11,;-7.71,-34.6,;-8.27,-36.01,)|
Show InChI InChI=1S/C19H21N3O2/c23-19(22-14-13-21-11-7-17(22)8-12-21)24-18-3-1-15(2-4-18)16-5-9-20-10-6-16/h1-6,9-10,17H,7-8,11-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 207n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296714
PNG
(4-phenoxyphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCN2CCC1CC2 |TLB:1:16:21.20:23.24,(21.87,-16.87,;22.15,-18.45,;23.66,-19,;24.89,-17.96,;26.4,-18.52,;27.62,-17.48,;27.34,-15.9,;28.52,-14.91,;29.97,-15.43,;30.23,-16.94,;31.68,-17.47,;32.86,-16.47,;32.58,-14.95,;31.13,-14.43,;25.82,-15.35,;24.6,-16.39,;20.93,-19.48,;21.3,-21.02,;20.26,-20.26,;18.82,-20.34,;18.74,-18.56,;19.39,-17.36,;19.46,-18.84,;18.11,-19.57,;17.79,-21.07,)|
Show InChI InChI=1S/C20H22N2O3/c23-20(22-15-14-21-12-10-16(22)11-13-21)25-19-8-6-18(7-9-19)24-17-4-2-1-3-5-17/h1-9,16H,10-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 212n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296716
PNG
(CHEMBL564816 | biphenyl-4-yl 1,4-diazabicyclo[3.2....)
Show SMILES O=C(Oc1ccc(cc1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(-4.95,-14.53,;-4.67,-16.11,;-3.16,-16.65,;-1.94,-15.62,;-.43,-16.17,;.79,-15.14,;.51,-13.56,;-1,-13.01,;-2.22,-14.05,;1.68,-12.57,;3.13,-13.1,;4.3,-12.11,;4.03,-10.59,;2.58,-10.07,;1.41,-11.06,;-5.9,-17.14,;-5.52,-18.67,;-6.56,-17.92,;-8,-17.99,;-8.08,-16.22,;-7.43,-15.02,;-7.36,-16.5,;-8.71,-17.23,;-9.03,-18.73,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(22-15-14-21-12-10-18(22)11-13-21)24-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18H,10-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 215n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296735
PNG
(CHEMBL552931 | N-(4-bromophenyl)-1,4-diazabicyclo[...)
Show SMILES Brc1ccc(NC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.37,-20.41,;.19,-21.41,;.46,-22.93,;-.72,-23.92,;-2.17,-23.39,;-3.35,-24.39,;-4.8,-23.86,;-5.07,-22.34,;-5.98,-24.85,;-5.62,-26.33,;-6.63,-25.61,;-8.01,-25.67,;-8.09,-23.97,;-7.47,-22.81,;-7.4,-24.23,;-8.7,-24.94,;-9,-26.38,;-2.45,-21.88,;-1.27,-20.88,)|
Show InChI InChI=1S/C14H18BrN3O/c15-11-1-3-12(4-2-11)16-14(19)18-10-9-17-7-5-13(18)6-8-17/h1-4,13H,5-10H2,(H,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 328n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296753
PNG
(4-(pyridin-2-yl)phenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES O=C(Oc1ccc(cc1)-c1ccccn1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(13.56,-25.18,;13.56,-26.75,;14.91,-27.54,;16.27,-26.75,;17.64,-27.55,;19.03,-26.76,;19.03,-25.16,;17.63,-24.36,;16.26,-25.16,;20.38,-24.37,;20.38,-22.83,;21.71,-22.07,;23.03,-22.83,;23.03,-24.36,;21.7,-25.14,;12.2,-27.54,;12.3,-29.09,;11.42,-28.18,;10,-28,;10.23,-26.25,;11.07,-25.19,;10.88,-26.64,;9.43,-27.13,;8.87,-28.55,)|
Show InChI InChI=1S/C19H21N3O2/c23-19(22-14-13-21-11-8-16(22)9-12-21)24-17-6-4-15(5-7-17)18-3-1-2-10-20-18/h1-7,10,16H,8-9,11-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 354n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296741
PNG
(1,5-diazabicyclo[4.2.2]decane carbamate | CHEMBL55...)
Show SMILES Brc1ccc(OC(=O)N2CCCN3CCC2CC3)cc1 |TLB:6:8:14.13:16.17,(13.79,5.49,;12.61,4.49,;12.88,2.97,;11.7,1.97,;10.25,2.5,;9.07,1.51,;7.62,2.04,;7.35,3.56,;6.43,1.04,;7.2,-.29,;6.15,-1.08,;5.79,.29,;4.41,.22,;4.33,1.93,;4.95,3.08,;5.02,1.66,;3.72,.96,;3.42,-.49,;9.97,4.02,;11.15,5.02,)|
Show InChI InChI=1S/C15H19BrN2O2/c16-12-2-4-14(5-3-12)20-15(19)18-9-1-8-17-10-6-13(18)7-11-17/h2-5,13H,1,6-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 383n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296729
PNG
(4-fluorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Fc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(12,-37.68,;10.82,-38.68,;11.09,-40.2,;9.91,-41.19,;8.46,-40.66,;7.28,-41.66,;5.83,-41.13,;5.56,-39.61,;4.65,-42.13,;5.01,-43.6,;4.01,-42.88,;2.62,-42.95,;2.55,-41.24,;3.17,-40.08,;3.23,-41.5,;1.93,-42.21,;1.63,-43.65,;8.19,-39.15,;9.36,-38.15,)|
Show InChI InChI=1S/C14H17FN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 537n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296723
PNG
(2-bromophenyl 1,4-diazabicyclo[3.2.2]nonane-4-carb...)
Show SMILES Brc1ccccc1OC(=O)N1CCN2CCC1CC2 |TLB:8:10:15.14:17.18,(-1.38,.74,;-1.65,2.25,;-.47,3.25,;-.74,4.77,;-2.2,5.3,;-3.38,4.3,;-3.11,2.79,;-4.29,1.79,;-5.74,2.32,;-6.01,3.84,;-6.92,1.32,;-6.56,-.15,;-7.56,.57,;-8.94,.5,;-9.02,2.21,;-8.4,3.37,;-8.33,1.94,;-9.63,1.24,;-9.94,-.21,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-12-3-1-2-4-13(12)19-14(18)17-10-9-16-7-5-11(17)6-8-16/h1-4,11H,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 725n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296730
PNG
(CHEMBL563848 | phenyl 1,4-diazabicyclo[3.2.2]nonan...)
Show SMILES O=C(Oc1ccccc1)N1CCN2CCC1CC2 |TLB:1:9:14.13:16.17,(-5.08,4.31,;-5.08,2.76,;-3.74,1.99,;-2.4,2.77,;-1.06,2,;.28,2.77,;.27,4.32,;-1.08,5.09,;-2.41,4.31,;-6.42,1.98,;-6.05,.51,;-7.06,1.23,;-8.44,1.16,;-8.52,2.88,;-7.9,4.03,;-7.83,2.61,;-9.13,1.9,;-9.44,.45,)|
Show InChI InChI=1S/C14H18N2O2/c17-14(18-13-4-2-1-3-5-13)16-11-10-15-8-6-12(16)7-9-15/h1-5,12H,6-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 739n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296733
PNG
(CHEMBL560069 | O-phenyl 1,4-diazabicyclo[3.2.2]non...)
Show SMILES S=C(Oc1ccccc1)N1CCN2CCC1CC2 |TLB:1:9:14.13:16.17,(30.03,-23.84,;30.3,-25.36,;31.76,-25.89,;32.94,-24.89,;34.38,-25.42,;35.57,-24.43,;35.3,-22.91,;33.83,-22.38,;32.66,-23.38,;29.12,-26.36,;29.49,-27.84,;28.48,-27.11,;27.1,-27.18,;27.02,-25.47,;27.64,-24.32,;27.71,-25.73,;26.4,-26.44,;26.11,-27.89,)|
Show InChI InChI=1S/C14H18N2OS/c18-14(17-13-4-2-1-3-5-13)16-11-10-15-8-6-12(16)7-9-15/h1-5,12H,6-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 749n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296740
PNG
(1,4-diazabicyclo[4.2.2]decanecarbamate | CHEMBL563...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC(CC3)C2)cc1 |TLB:6:8:13.12:15.16,(27.55,4.64,;26.37,3.64,;26.64,2.12,;25.46,1.13,;24.01,1.66,;22.83,.66,;21.38,1.19,;21.11,2.71,;19.94,.42,;18.89,-.37,;18.53,1,;17.15,.93,;17.07,2.64,;17.69,3.79,;17.76,2.37,;16.46,1.67,;16.16,.22,;19.17,1.75,;23.73,3.17,;24.91,4.17,)|
Show InChI InChI=1S/C15H19BrN2O2/c16-13-1-3-14(4-2-13)20-15(19)18-10-9-17-7-5-12(11-18)6-8-17/h1-4,12H,5-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 763n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296725
PNG
(2-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Clc1ccccc1OC(=O)N1CCN2CCC1CC2 |TLB:8:10:15.14:17.18,(12.15,-50.36,;11.88,-48.85,;13.06,-47.85,;12.79,-46.33,;11.33,-45.8,;10.15,-46.8,;10.43,-48.32,;9.25,-49.31,;7.8,-48.78,;7.53,-47.26,;6.62,-49.78,;6.98,-51.26,;5.98,-50.53,;4.59,-50.6,;4.52,-48.89,;5.13,-47.74,;5.2,-49.16,;3.9,-49.86,;3.6,-51.31,)|
Show InChI InChI=1S/C14H17ClN2O2/c15-12-3-1-2-4-13(12)19-14(18)17-10-9-16-7-5-11(17)6-8-16/h1-4,11H,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 868n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296732
PNG
(CHEMBL556080 | benzyl 1,4-diazabicyclo[3.2.2]nonan...)
Show SMILES O=C(OCc1ccccc1)N1CCN2CCC1CC2 |TLB:1:10:15.14:17.18,(-5.26,-30.83,;-4.99,-32.35,;-3.54,-32.88,;-2.36,-31.88,;-.91,-32.41,;-.64,-33.93,;.81,-34.45,;1.99,-33.46,;1.71,-31.93,;.26,-31.41,;-6.18,-33.35,;-5.81,-34.82,;-6.82,-34.1,;-8.2,-34.17,;-8.28,-32.46,;-7.66,-31.31,;-7.59,-32.72,;-8.89,-33.43,;-9.19,-34.88,)|
Show InChI InChI=1S/C15H20N2O2/c18-15(19-12-13-4-2-1-3-5-13)17-11-10-16-8-6-14(17)7-9-16/h1-5,14H,6-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.35E+3n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296731
PNG
(4-(4-bromophenylsulfonyl)-1,4-diazabicyclo[3.2.2]n...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN2CCC1CC2 |TLB:7:10:15.14:17.18,(15.02,-35.01,;13.57,-34.49,;12.39,-35.48,;10.94,-34.96,;10.67,-33.44,;11.84,-32.44,;13.29,-32.96,;9.22,-32.91,;8.12,-31.81,;10.31,-31.8,;8.04,-33.91,;8.4,-35.38,;7.4,-34.66,;6.01,-34.73,;5.94,-33.02,;6.56,-31.87,;6.62,-33.29,;5.32,-33.99,;5.02,-35.44,)|
Show InChI InChI=1S/C13H17BrN2O2S/c14-11-1-3-13(4-2-11)19(17,18)16-10-9-15-7-5-12(16)6-8-15/h1-4,12H,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>4.72E+3n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296737
PNG
((3S,5R)-4-bromophenyl 3,5-dimethylpiperazine-1-car...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)Oc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C13H17BrN2O2/c1-9-7-16(8-10(2)15-9)13(17)18-12-5-3-11(14)4-6-12/h3-6,9-10,15H,7-8H2,1-2H3/t9-,10+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>5.00E+3n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296736
PNG
((2S,5R)-4-bromophenyl 2,5-dimethylpiperazine-1-car...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1)C(=O)Oc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C13H17BrN2O2/c1-9-8-16(10(2)7-15-9)13(17)18-12-5-3-11(14)4-6-12/h3-6,9-10,15H,7-8H2,1-2H3/t9-,10+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>5.00E+3n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296734
PNG
(1-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-(4-bromoph...)
Show SMILES Brc1ccc(CC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(12.94,-20.71,;11.76,-21.71,;12.03,-23.23,;10.85,-24.22,;9.4,-23.69,;8.22,-24.69,;6.77,-24.16,;6.5,-22.64,;5.59,-25.15,;5.95,-26.63,;4.95,-25.91,;3.56,-25.97,;3.49,-24.27,;4.11,-23.11,;4.17,-24.53,;2.87,-25.24,;2.57,-26.68,;9.12,-22.18,;10.3,-21.18,)|
Show InChI InChI=1S/C15H19BrN2O/c16-13-3-1-12(2-4-13)11-15(19)18-10-9-17-7-5-14(18)6-8-17/h1-4,14H,5-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>5.00E+3n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296738
PNG
((R)-4-bromophenyl 3-methylpiperazine-1-carboxylate...)
Show SMILES C[C@@H]1CN(CCN1)C(=O)Oc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C12H15BrN2O2/c1-9-8-15(7-6-14-9)12(16)17-11-4-2-10(13)3-5-11/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>5.00E+3n/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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50296739
PNG
(1-(4-bromophenyl)-4-methyl-1,4-diazepane-1-carboxy...)
Show SMILES CN1CCCN(CC1)C(=O)Oc1ccc(Br)cc1
Show InChI InChI=1S/C13H17BrN2O2/c1-15-7-2-8-16(10-9-15)13(17)18-12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>5.71E+3n/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 subunit alpha-4


(Rattus norvegicus (Rat))		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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 1.65n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3


(Homo sapiens (Human))		BDBM50329578
PNG
((-)-9-Bromocytisine | (1R,5S)-9-Bromo-1,2,3,4,5,6-...)
Show SMILES Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r|
Show InChI InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 15.6n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296730
PNG
(CHEMBL563848 | phenyl 1,4-diazabicyclo[3.2.2]nonan...)
Show SMILES O=C(Oc1ccccc1)N1CCN2CCC1CC2 |TLB:1:9:14.13:16.17,(-5.08,4.31,;-5.08,2.76,;-3.74,1.99,;-2.4,2.77,;-1.06,2,;.28,2.77,;.27,4.32,;-1.08,5.09,;-2.41,4.31,;-6.42,1.98,;-6.05,.51,;-7.06,1.23,;-8.44,1.16,;-8.52,2.88,;-7.9,4.03,;-7.83,2.61,;-9.13,1.9,;-9.44,.45,)|
Show InChI InChI=1S/C14H18N2O2/c17-14(18-13-4-2-1-3-5-13)16-11-10-15-8-6-12(16)7-9-15/h1-5,12H,6-11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296728
PNG
(3-fluorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Fc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(22.94,-41.26,;21.49,-40.73,;21.22,-39.21,;19.75,-38.69,;18.58,-39.68,;18.86,-41.2,;17.68,-42.19,;16.22,-41.67,;15.95,-40.15,;15.04,-42.66,;15.41,-44.14,;14.4,-43.41,;13.02,-43.48,;12.94,-41.77,;13.56,-40.62,;13.63,-42.04,;12.33,-42.74,;12.03,-44.19,;20.3,-41.73,)|
Show InChI InChI=1S/C14H17FN2O2/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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-3


(Homo sapiens (Human))		BDBM50296747
PNG
(3-benzoyl-4-bromophenyl 1,4-diazabicyclo[3.2.2]non...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1 |TLB:6:8:13.12:15.16,(17.84,-19.26,;16.66,-20.26,;15.15,-19.71,;13.93,-20.75,;14.21,-22.32,;12.98,-23.35,;11.48,-22.81,;11.19,-21.22,;10.25,-23.84,;10.63,-25.37,;9.59,-24.62,;8.15,-24.69,;8.06,-22.92,;8.71,-21.72,;8.78,-23.2,;7.43,-23.93,;7.12,-25.43,;15.72,-22.87,;16.95,-21.84,;18.39,-22.36,;18.66,-23.88,;19.57,-21.37,;21.02,-21.91,;22.19,-20.92,;21.93,-19.4,;20.47,-18.88,;19.3,-19.87,)|
Show InChI InChI=1S/C21H21BrN2O3/c22-19-7-6-17(14-18(19)20(25)15-4-2-1-3-5-15)27-21(26)24-13-12-23-10-8-16(24)9-11-23/h1-7,14,16H,8-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296729
PNG
(4-fluorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Fc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(12,-37.68,;10.82,-38.68,;11.09,-40.2,;9.91,-41.19,;8.46,-40.66,;7.28,-41.66,;5.83,-41.13,;5.56,-39.61,;4.65,-42.13,;5.01,-43.6,;4.01,-42.88,;2.62,-42.95,;2.55,-41.24,;3.17,-40.08,;3.23,-41.5,;1.93,-42.21,;1.63,-43.65,;8.19,-39.15,;9.36,-38.15,)|
Show InChI InChI=1S/C14H17FN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296747
PNG
(3-benzoyl-4-bromophenyl 1,4-diazabicyclo[3.2.2]non...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1 |TLB:6:8:13.12:15.16,(17.84,-19.26,;16.66,-20.26,;15.15,-19.71,;13.93,-20.75,;14.21,-22.32,;12.98,-23.35,;11.48,-22.81,;11.19,-21.22,;10.25,-23.84,;10.63,-25.37,;9.59,-24.62,;8.15,-24.69,;8.06,-22.92,;8.71,-21.72,;8.78,-23.2,;7.43,-23.93,;7.12,-25.43,;15.72,-22.87,;16.95,-21.84,;18.39,-22.36,;18.66,-23.88,;19.57,-21.37,;21.02,-21.91,;22.19,-20.92,;21.93,-19.4,;20.47,-18.88,;19.3,-19.87,)|
Show InChI InChI=1S/C21H21BrN2O3/c22-19-7-6-17(14-18(19)20(25)15-4-2-1-3-5-15)27-21(26)24-13-12-23-10-8-16(24)9-11-23/h1-7,14,16H,8-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.04E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-3


(Homo sapiens (Human))		BDBM50296743
PNG
(4-bromo-3-chlorophenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(1.98,-4.06,;.58,-3.56,;-.6,-4.55,;-2.05,-4.02,;-3.23,-5.01,;-4.68,-4.49,;-4.96,-2.96,;-5.86,-5.48,;-5.5,-6.96,;-6.5,-6.23,;-7.89,-6.31,;-7.97,-4.6,;-7.35,-3.44,;-7.28,-4.86,;-8.58,-5.57,;-8.88,-7.01,;-2.32,-2.5,;-1.15,-1.51,;.31,-2.03,;1.45,-1.08,)|
Show InChI InChI=1S/C14H16BrClN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.09E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 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 subunit alpha-4


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.62E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50296748
PNG
(CHEMBL564850 | naphthalen-2-yl 1,4-diazabicyclo[3....)
Show SMILES O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2 |TLB:1:13:18.17:20.21,(26.32,-21.11,;26.59,-22.64,;28.05,-23.16,;29.23,-22.17,;28.95,-20.65,;30.13,-19.66,;31.59,-20.18,;32.76,-19.19,;34.21,-19.71,;34.49,-21.24,;33.3,-22.23,;31.85,-21.7,;30.68,-22.7,;25.41,-23.63,;25.78,-25.11,;24.78,-24.38,;23.39,-24.45,;23.31,-22.75,;23.93,-21.59,;24,-23.01,;22.7,-23.71,;22.4,-25.16,)|
Show InChI InChI=1S/C18H20N2O2/c21-18(20-12-11-19-9-7-16(20)8-10-19)22-17-6-5-14-3-1-2-4-15(14)13-17/h1-6,13,16H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.16E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from human 5HT3 receptor expressed in HEK293 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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50296742
PNG
(1,4-diazabicyclo[3.2.2]nonane-(4-bromo)-phenyl car...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>3.16E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from human 5HT3 receptor expressed in HEK293 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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296726
PNG
(3-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Clc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(2.4,-48.55,;.95,-48.03,;.68,-46.5,;-.79,-45.98,;-1.96,-46.98,;-1.68,-48.49,;-2.86,-49.49,;-4.32,-48.96,;-4.59,-47.44,;-5.5,-49.95,;-5.13,-51.43,;-6.14,-50.71,;-7.52,-50.77,;-7.6,-49.07,;-6.98,-47.91,;-6.91,-49.33,;-8.21,-50.04,;-8.51,-51.48,;-.24,-49.02,)|
Show InChI InChI=1S/C14H17ClN2O2/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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.51E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.94E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-3


(Homo sapiens (Human))		BDBM50296744
PNG
(4-bromo-3-methylphenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(25.56,-5.32,;24.16,-4.82,;22.98,-5.81,;21.53,-5.28,;20.35,-6.28,;18.89,-5.75,;18.62,-4.22,;17.71,-6.74,;18.08,-8.22,;17.08,-7.5,;15.69,-7.57,;15.61,-5.86,;16.23,-4.7,;16.3,-6.12,;15,-6.83,;14.7,-8.27,;21.26,-3.76,;22.43,-2.77,;23.89,-3.29,;25.02,-2.34,)|
Show InChI InChI=1S/C15H19BrN2O2/c1-11-10-13(2-3-14(11)16)20-15(19)18-9-8-17-6-4-12(18)5-7-17/h2-3,10,12H,4-9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.02E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 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 subunit alpha-3


(Homo sapiens (Human))		BDBM50296745
PNG
(3,4-dichlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4...)
Show SMILES Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1Cl |TLB:6:8:13.12:15.16,(13.61,-10.33,;12.48,-11.28,;11.02,-10.76,;9.84,-11.76,;10.12,-13.27,;8.94,-14.27,;7.48,-13.74,;7.21,-12.22,;6.3,-14.73,;6.67,-16.21,;5.67,-15.49,;4.28,-15.56,;4.2,-13.85,;4.82,-12.69,;4.89,-14.11,;3.59,-14.82,;3.29,-16.26,;11.57,-13.8,;12.75,-12.81,;14.14,-13.31,)|
Show InChI InChI=1S/C14H16Cl2N2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.75E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 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 subunit alpha-3


(Homo sapiens (Human))		BDBM50296748
PNG
(CHEMBL564850 | naphthalen-2-yl 1,4-diazabicyclo[3....)
Show SMILES O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2 |TLB:1:13:18.17:20.21,(26.32,-21.11,;26.59,-22.64,;28.05,-23.16,;29.23,-22.17,;28.95,-20.65,;30.13,-19.66,;31.59,-20.18,;32.76,-19.19,;34.21,-19.71,;34.49,-21.24,;33.3,-22.23,;31.85,-21.7,;30.68,-22.7,;25.41,-23.63,;25.78,-25.11,;24.78,-24.38,;23.39,-24.45,;23.31,-22.75,;23.93,-21.59,;24,-23.01,;22.7,-23.71,;22.4,-25.16,)|
Show InChI InChI=1S/C18H20N2O2/c21-18(20-12-11-19-9-7-16(20)8-10-19)22-17-6-5-14-3-1-2-4-15(14)13-17/h1-6,13,16H,7-12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.91E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296745
PNG
(3,4-dichlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4...)
Show SMILES Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1Cl |TLB:6:8:13.12:15.16,(13.61,-10.33,;12.48,-11.28,;11.02,-10.76,;9.84,-11.76,;10.12,-13.27,;8.94,-14.27,;7.48,-13.74,;7.21,-12.22,;6.3,-14.73,;6.67,-16.21,;5.67,-15.49,;4.28,-15.56,;4.2,-13.85,;4.82,-12.69,;4.89,-14.11,;3.59,-14.82,;3.29,-16.26,;11.57,-13.8,;12.75,-12.81,;14.14,-13.31,)|
Show InChI InChI=1S/C14H16Cl2N2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.98E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296725
PNG
(2-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Clc1ccccc1OC(=O)N1CCN2CCC1CC2 |TLB:8:10:15.14:17.18,(12.15,-50.36,;11.88,-48.85,;13.06,-47.85,;12.79,-46.33,;11.33,-45.8,;10.15,-46.8,;10.43,-48.32,;9.25,-49.31,;7.8,-48.78,;7.53,-47.26,;6.62,-49.78,;6.98,-51.26,;5.98,-50.53,;4.59,-50.6,;4.52,-48.89,;5.13,-47.74,;5.2,-49.16,;3.9,-49.86,;3.6,-51.31,)|
Show InChI InChI=1S/C14H17ClN2O2/c15-12-3-1-2-4-13(12)19-14(18)17-10-9-16-7-5-11(17)6-8-16/h1-4,11H,5-10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296723
PNG
(2-bromophenyl 1,4-diazabicyclo[3.2.2]nonane-4-carb...)
Show SMILES Brc1ccccc1OC(=O)N1CCN2CCC1CC2 |TLB:8:10:15.14:17.18,(-1.38,.74,;-1.65,2.25,;-.47,3.25,;-.74,4.77,;-2.2,5.3,;-3.38,4.3,;-3.11,2.79,;-4.29,1.79,;-5.74,2.32,;-6.01,3.84,;-6.92,1.32,;-6.56,-.15,;-7.56,.57,;-8.94,.5,;-9.02,2.21,;-8.4,3.37,;-8.33,1.94,;-9.63,1.24,;-9.94,-.21,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-12-3-1-2-4-13(12)19-14(18)17-10-9-16-7-5-11(17)6-8-16/h1-4,11H,5-10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296752
PNG
(4-(pyridin-3-yl)phenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES O=C(Oc1ccc(cc1)-c1cccnc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(28.87,-23.44,;28.87,-24.98,;30.21,-25.74,;31.54,-24.97,;32.9,-25.77,;34.28,-24.97,;34.28,-23.38,;32.9,-22.6,;31.53,-23.39,;35.61,-22.61,;35.6,-21.07,;36.92,-20.29,;38.26,-21.06,;38.27,-22.6,;36.95,-23.36,;27.54,-25.74,;27.64,-27.3,;26.76,-26.39,;25.35,-26.22,;25.57,-24.47,;26.4,-23.42,;26.22,-24.86,;24.78,-25.34,;24.22,-26.75,)|
Show InChI InChI=1S/C19H21N3O2/c23-19(22-13-12-21-10-7-17(22)8-11-21)24-18-5-3-15(4-6-18)16-2-1-9-20-14-16/h1-6,9,14,17H,7-8,10-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296721
PNG
(CHEMBL550054 | m-tolyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Cc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(23.73,2.25,;22.27,2.79,;22,4.31,;20.54,4.83,;19.36,3.84,;19.64,2.32,;18.46,1.33,;17.01,1.85,;16.73,3.37,;15.83,.86,;16.19,-.62,;15.18,.1,;13.8,.03,;13.72,1.74,;14.35,2.9,;14.41,1.47,;13.11,.77,;12.81,-.67,;21.08,1.79,)|
Show InChI InChI=1S/C15H20N2O2/c1-12-3-2-4-14(11-12)19-15(18)17-10-9-16-7-5-13(17)6-8-16/h2-4,11,13H,5-10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-3


(Homo sapiens (Human))		BDBM50296727
PNG
(4-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(35.17,-37.92,;33.99,-38.92,;34.26,-40.44,;33.08,-41.43,;31.63,-40.9,;30.45,-41.9,;29,-41.37,;28.73,-39.85,;27.82,-42.37,;28.18,-43.84,;27.18,-43.12,;25.79,-43.19,;25.72,-41.48,;26.33,-40.32,;26.4,-41.74,;25.1,-42.45,;24.8,-43.89,;31.35,-39.39,;32.53,-38.39,)|
Show InChI InChI=1S/C14H17ClN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296742
PNG
(1,4-diazabicyclo[3.2.2]nonane-(4-bromo)-phenyl car...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296720
PNG
(4-methoxyphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES COc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:7:9:14.13:16.17,(36.81,4.41,;35.35,4.94,;34.17,3.94,;34.44,2.42,;33.26,1.42,;31.82,1.96,;30.63,.96,;29.18,1.48,;28.91,3.01,;28,.49,;28.37,-.98,;27.36,-.26,;25.97,-.33,;25.89,1.38,;26.52,2.53,;26.58,1.12,;25.28,.41,;24.98,-1.04,;31.54,3.47,;32.71,4.46,)|
Show InChI InChI=1S/C15H20N2O3/c1-19-13-2-4-14(5-3-13)20-15(18)17-11-10-16-8-6-12(17)7-9-16/h2-5,12H,6-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296719
PNG
(3-methoxyphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES COc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:8:10:15.14:17.18,(1.83,-7.16,;1.55,-5.64,;.11,-5.11,;-.17,-3.58,;-1.63,-3.06,;-2.81,-4.06,;-2.53,-5.57,;-3.7,-6.56,;-5.16,-6.04,;-5.43,-4.52,;-6.34,-7.03,;-5.98,-8.51,;-6.98,-7.79,;-8.36,-7.85,;-8.44,-6.14,;-7.82,-5,;-7.75,-6.41,;-9.05,-7.12,;-9.36,-8.56,;-1.08,-6.1,)|
Show InChI InChI=1S/C15H20N2O3/c1-19-13-3-2-4-14(11-13)20-15(18)17-10-9-16-7-5-12(17)6-8-16/h2-4,11-12H,5-10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296753
PNG
(4-(pyridin-2-yl)phenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES O=C(Oc1ccc(cc1)-c1ccccn1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(13.56,-25.18,;13.56,-26.75,;14.91,-27.54,;16.27,-26.75,;17.64,-27.55,;19.03,-26.76,;19.03,-25.16,;17.63,-24.36,;16.26,-25.16,;20.38,-24.37,;20.38,-22.83,;21.71,-22.07,;23.03,-22.83,;23.03,-24.36,;21.7,-25.14,;12.2,-27.54,;12.3,-29.09,;11.42,-28.18,;10,-28,;10.23,-26.25,;11.07,-25.19,;10.88,-26.64,;9.43,-27.13,;8.87,-28.55,)|
Show InChI InChI=1S/C19H21N3O2/c23-19(22-14-13-21-11-8-16(22)9-12-21)24-17-6-4-15(5-7-17)18-3-1-2-10-20-18/h1-7,10,16H,8-9,11-14H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296716
PNG
(CHEMBL564816 | biphenyl-4-yl 1,4-diazabicyclo[3.2....)
Show SMILES O=C(Oc1ccc(cc1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(-4.95,-14.53,;-4.67,-16.11,;-3.16,-16.65,;-1.94,-15.62,;-.43,-16.17,;.79,-15.14,;.51,-13.56,;-1,-13.01,;-2.22,-14.05,;1.68,-12.57,;3.13,-13.1,;4.3,-12.11,;4.03,-10.59,;2.58,-10.07,;1.41,-11.06,;-5.9,-17.14,;-5.52,-18.67,;-6.56,-17.92,;-8,-17.99,;-8.08,-16.22,;-7.43,-15.02,;-7.36,-16.5,;-8.71,-17.23,;-9.03,-18.73,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(22-15-14-21-12-10-18(22)11-13-21)24-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18H,10-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296727
PNG
(4-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(35.17,-37.92,;33.99,-38.92,;34.26,-40.44,;33.08,-41.43,;31.63,-40.9,;30.45,-41.9,;29,-41.37,;28.73,-39.85,;27.82,-42.37,;28.18,-43.84,;27.18,-43.12,;25.79,-43.19,;25.72,-41.48,;26.33,-40.32,;26.4,-41.74,;25.1,-42.45,;24.8,-43.89,;31.35,-39.39,;32.53,-38.39,)|
Show InChI InChI=1S/C14H17ClN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296722
PNG
(CHEMBL554169 | p-tolyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Cc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(11.85,5.86,;10.66,4.86,;10.94,3.34,;9.75,2.35,;8.3,2.88,;7.12,1.88,;5.67,2.41,;5.4,3.93,;4.48,1.41,;4.85,-.06,;3.85,.66,;2.47,.59,;2.39,2.31,;3,3.45,;3.07,2.03,;1.77,1.33,;1.47,-.12,;8.03,4.39,;9.2,5.39,)|
Show InChI InChI=1S/C15H20N2O2/c1-12-2-4-14(5-3-12)19-15(18)17-11-10-16-8-6-13(17)7-9-16/h2-5,13H,6-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296718
PNG
(4-benzoylphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES O=C(Oc1ccc(cc1)C(=O)c1ccccc1)N1CCN2CCC1CC2 |TLB:1:17:22.21:24.25,(9.05,-5.68,;9.33,-7.19,;10.77,-7.72,;11.96,-6.73,;13.4,-7.26,;14.58,-6.26,;14.31,-4.75,;12.85,-4.22,;11.67,-5.22,;15.49,-3.75,;15.21,-2.23,;16.94,-4.27,;17.21,-5.79,;18.66,-6.32,;19.84,-5.32,;19.56,-3.8,;18.11,-3.27,;8.14,-8.19,;8.51,-9.66,;7.51,-8.94,;6.13,-9.01,;6.04,-7.3,;6.67,-6.15,;6.74,-7.56,;5.44,-8.27,;5.13,-9.72,)|
Show InChI InChI=1S/C21H22N2O3/c24-20(16-4-2-1-3-5-16)17-6-8-19(9-7-17)26-21(25)23-15-14-22-12-10-18(23)11-13-22/h1-9,18H,10-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296751
PNG
(4-(pyridin-4-yl)phenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES O=C(Oc1ccc(cc1)-c1ccncc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(-3.61,-32.7,;-3.61,-34.24,;-2.27,-35,;-.94,-34.24,;.42,-35.05,;1.8,-34.24,;1.8,-32.65,;.41,-31.87,;-.96,-32.66,;3.13,-31.88,;4.47,-32.65,;5.81,-31.88,;5.8,-30.35,;4.47,-29.57,;3.13,-30.35,;-4.94,-35,;-4.85,-36.56,;-5.73,-35.64,;-7.13,-35.47,;-6.92,-33.72,;-6.08,-32.68,;-6.26,-34.11,;-7.71,-34.6,;-8.27,-36.01,)|
Show InChI InChI=1S/C19H21N3O2/c23-19(22-14-13-21-11-7-17(22)8-12-21)24-18-3-1-15(2-4-18)16-5-9-20-10-6-16/h1-6,9-10,17H,7-8,11-14H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296714
PNG
(4-phenoxyphenyl 1,4-diazabicyclo[3.2.2]nonane-4-ca...)
Show SMILES O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCN2CCC1CC2 |TLB:1:16:21.20:23.24,(21.87,-16.87,;22.15,-18.45,;23.66,-19,;24.89,-17.96,;26.4,-18.52,;27.62,-17.48,;27.34,-15.9,;28.52,-14.91,;29.97,-15.43,;30.23,-16.94,;31.68,-17.47,;32.86,-16.47,;32.58,-14.95,;31.13,-14.43,;25.82,-15.35,;24.6,-16.39,;20.93,-19.48,;21.3,-21.02,;20.26,-20.26,;18.82,-20.34,;18.74,-18.56,;19.39,-17.36,;19.46,-18.84,;18.11,-19.57,;17.79,-21.07,)|
Show InChI InChI=1S/C20H22N2O3/c23-20(22-15-14-21-12-10-16(22)11-13-21)25-19-8-6-18(7-9-19)24-17-4-2-1-3-5-17/h1-9,16H,10-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.03E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-3


(Homo sapiens (Human))		BDBM50296742
PNG
(1,4-diazabicyclo[3.2.2]nonane-(4-bromo)-phenyl car...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>6.48E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296746
PNG
(4-chloro-3-fluorophenyl 1,4-diazabicyclo[3.2.2]non...)
Show SMILES Fc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Cl |TLB:5:7:12.11:14.15,(25.98,-13.32,;24.59,-12.82,;23.41,-13.81,;21.96,-13.28,;20.77,-14.27,;19.32,-13.75,;19.05,-12.22,;18.14,-14.74,;18.5,-16.22,;17.5,-15.49,;16.12,-15.57,;16.04,-13.86,;16.66,-12.7,;16.73,-14.12,;15.43,-14.83,;15.12,-16.27,;21.68,-11.76,;22.86,-10.77,;24.32,-11.29,;25.45,-10.34,)|
Show InChI InChI=1S/C14H16ClFN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.98E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296743
PNG
(4-bromo-3-chlorophenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(1.98,-4.06,;.58,-3.56,;-.6,-4.55,;-2.05,-4.02,;-3.23,-5.01,;-4.68,-4.49,;-4.96,-2.96,;-5.86,-5.48,;-5.5,-6.96,;-6.5,-6.23,;-7.89,-6.31,;-7.97,-4.6,;-7.35,-3.44,;-7.28,-4.86,;-8.58,-5.57,;-8.88,-7.01,;-2.32,-2.5,;-1.15,-1.51,;.31,-2.03,;1.45,-1.08,)|
Show InChI InChI=1S/C14H16BrClN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.12E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296744
PNG
(4-bromo-3-methylphenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(25.56,-5.32,;24.16,-4.82,;22.98,-5.81,;21.53,-5.28,;20.35,-6.28,;18.89,-5.75,;18.62,-4.22,;17.71,-6.74,;18.08,-8.22,;17.08,-7.5,;15.69,-7.57,;15.61,-5.86,;16.23,-4.7,;16.3,-6.12,;15,-6.83,;14.7,-8.27,;21.26,-3.76,;22.43,-2.77,;23.89,-3.29,;25.02,-2.34,)|
Show InChI InChI=1S/C15H19BrN2O2/c1-11-10-13(2-3-14(11)16)20-15(19)18-9-8-17-6-4-12(18)5-7-17/h2-3,10,12H,4-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.22E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296748
PNG
(CHEMBL564850 | naphthalen-2-yl 1,4-diazabicyclo[3....)
Show SMILES O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2 |TLB:1:13:18.17:20.21,(26.32,-21.11,;26.59,-22.64,;28.05,-23.16,;29.23,-22.17,;28.95,-20.65,;30.13,-19.66,;31.59,-20.18,;32.76,-19.19,;34.21,-19.71,;34.49,-21.24,;33.3,-22.23,;31.85,-21.7,;30.68,-22.7,;25.41,-23.63,;25.78,-25.11,;24.78,-24.38,;23.39,-24.45,;23.31,-22.75,;23.93,-21.59,;24,-23.01,;22.7,-23.71,;22.4,-25.16,)|
Show InChI InChI=1S/C18H20N2O2/c21-18(20-12-11-19-9-7-16(20)8-10-19)22-17-6-5-14-3-1-2-4-15(14)13-17/h1-6,13,16H,7-12H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.88E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-3


(Homo sapiens (Human))		BDBM50296746
PNG
(4-chloro-3-fluorophenyl 1,4-diazabicyclo[3.2.2]non...)
Show SMILES Fc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Cl |TLB:5:7:12.11:14.15,(25.98,-13.32,;24.59,-12.82,;23.41,-13.81,;21.96,-13.28,;20.77,-14.27,;19.32,-13.75,;19.05,-12.22,;18.14,-14.74,;18.5,-16.22,;17.5,-15.49,;16.12,-15.57,;16.04,-13.86,;16.66,-12.7,;16.73,-14.12,;15.43,-14.83,;15.12,-16.27,;21.68,-11.76,;22.86,-10.77,;24.32,-11.29,;25.45,-10.34,)|
Show InChI InChI=1S/C14H16ClFN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.96E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 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 subunit alpha-4


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296741
PNG
(1,5-diazabicyclo[4.2.2]decane carbamate | CHEMBL55...)
Show SMILES Brc1ccc(OC(=O)N2CCCN3CCC2CC3)cc1 |TLB:6:8:14.13:16.17,(13.79,5.49,;12.61,4.49,;12.88,2.97,;11.7,1.97,;10.25,2.5,;9.07,1.51,;7.62,2.04,;7.35,3.56,;6.43,1.04,;7.2,-.29,;6.15,-1.08,;5.79,.29,;4.41,.22,;4.33,1.93,;4.95,3.08,;5.02,1.66,;3.72,.96,;3.42,-.49,;9.97,4.02,;11.15,5.02,)|
Show InChI InChI=1S/C15H19BrN2O2/c16-12-2-4-14(5-3-12)20-15(19)18-9-1-8-17-10-6-13(18)7-11-17/h2-5,13H,1,6-11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296738
PNG
((R)-4-bromophenyl 3-methylpiperazine-1-carboxylate...)
Show SMILES C[C@@H]1CN(CCN1)C(=O)Oc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C12H15BrN2O2/c1-9-8-15(7-6-14-9)12(16)17-11-4-2-10(13)3-5-11/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296736
PNG
((2S,5R)-4-bromophenyl 2,5-dimethylpiperazine-1-car...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1)C(=O)Oc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C13H17BrN2O2/c1-9-8-16(10(2)7-15-9)13(17)18-12-5-3-11(14)4-6-12/h3-6,9-10,15H,7-8H2,1-2H3/t9-,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296737
PNG
((3S,5R)-4-bromophenyl 3,5-dimethylpiperazine-1-car...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)Oc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C13H17BrN2O2/c1-9-7-16(8-10(2)15-9)13(17)18-12-5-3-11(14)4-6-12/h3-6,9-10,15H,7-8H2,1-2H3/t9-,10+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296740
PNG
(1,4-diazabicyclo[4.2.2]decanecarbamate | CHEMBL563...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC(CC3)C2)cc1 |TLB:6:8:13.12:15.16,(27.55,4.64,;26.37,3.64,;26.64,2.12,;25.46,1.13,;24.01,1.66,;22.83,.66,;21.38,1.19,;21.11,2.71,;19.94,.42,;18.89,-.37,;18.53,1,;17.15,.93,;17.07,2.64,;17.69,3.79,;17.76,2.37,;16.46,1.67,;16.16,.22,;19.17,1.75,;23.73,3.17,;24.91,4.17,)|
Show InChI InChI=1S/C15H19BrN2O2/c16-13-1-3-14(4-2-13)20-15(19)18-10-9-17-7-5-12(11-18)6-8-17/h1-4,12H,5-11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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 subunit alpha-4


(Rattus norvegicus (Rat))		BDBM50296739
PNG
(1-(4-bromophenyl)-4-methyl-1,4-diazepane-1-carboxy...)
Show SMILES CN1CCCN(CC1)C(=O)Oc1ccc(Br)cc1
Show InChI InChI=1S/C13H17BrN2O2/c1-15-7-2-8-16(10-9-15)13(17)18-12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method

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
* indicates data uncertainty>20%