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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'tatsumi' and Initial = 'r'   
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))
BDBM50190696
PNG
((2S)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES Brc1ccc(s1)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:8.18,TLB:7:8:12.11:14.15,THB:16:8:12.11:14.15,(5.67,-5.62,;4.7,-4.42,;3.16,-4.5,;2.61,-3.06,;3.81,-2.09,;5.1,-2.93,;3.74,-.55,;2.45,.29,;2.85,1.77,;2.57,3.17,;1.22,3.79,;-.25,3.14,;-.05,1.76,;1.49,2.42,;1.74,4.32,;1.29,5.43,;4.39,1.85,;4.93,.41,;6.42,.01,)|
Show InChI InChI=1S/C13H15BrN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m0/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50190686
PNG
((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...)
Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(27.52,-20.9,;26.53,-19.72,;25,-19.82,;24.43,-18.39,;22.98,-17.87,;22.71,-16.35,;23.89,-15.35,;25.34,-15.88,;25.6,-17.4,;26.9,-18.22,;28.33,-17.65,;23.82,-13.81,;22.53,-12.96,;22.94,-11.47,;22.66,-10.07,;21.3,-9.46,;19.83,-10.11,;20.03,-11.49,;21.57,-10.83,;21.82,-8.93,;21.38,-7.82,;24.48,-11.4,;25.02,-12.84,;26.52,-13.24,)|
Show InChI InChI=1S/C19H22N2O3/c1-12-13(2)23-17-4-3-15(9-16(12)17)21-11-19(24-18(21)22)10-20-7-5-14(19)6-8-20/h3-4,9,14H,5-8,10-11H2,1-2H3/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164606
PNG
((2R)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES Brc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(9.64,1.56,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)|
Show InChI InChI=1S/C13H15BrN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m1/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50190677
PNG
((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...)
Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(18.37,-17.66,;16.95,-18.23,;16.58,-19.73,;15.04,-19.83,;14.48,-18.4,;13.03,-17.88,;12.76,-16.36,;13.94,-15.36,;15.38,-15.89,;15.65,-17.41,;13.87,-13.82,;12.58,-12.98,;12.99,-11.49,;12.71,-10.09,;11.36,-9.48,;9.89,-10.13,;10.08,-11.51,;11.62,-10.85,;11.87,-8.95,;11.43,-7.84,;14.52,-11.41,;15.07,-12.85,;16.56,-13.26,)|
Show InChI InChI=1S/C17H17BrN2O3/c18-14-8-22-15-2-1-12(7-13(14)15)20-10-17(23-16(20)21)9-19-5-3-11(17)4-6-19/h1-2,7-8,11H,3-6,9-10H2/t17-/m0/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164618
PNG
((2R)-3'-(5-chlorothien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES Clc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(9.64,1.56,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)|
Show InChI InChI=1S/C13H15ClN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m1/s1
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9n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164607
PNG
((2R)-3'-(5-methylthien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES Cc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(11.79,1.56,;10.31,1.11,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|
Show InChI InChI=1S/C14H18N2O2S/c1-10-2-3-12(19-10)16-9-14(18-13(16)17)8-15-6-4-11(14)5-7-15/h2-3,11H,4-9H2,1H3/t14-/m1/s1
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12n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149146
PNG
((S)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...)
Show SMILES C(O[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1 |wD:2.1,(.52,2.64,;-.81,3.43,;-2.15,2.66,;-2.15,1.11,;-3.48,.34,;-3.04,1.54,;-4.11,2.26,;-3.48,3.43,;-4.81,2.66,;-4.81,1.11,;1.86,3.41,;3.26,2.78,;4.29,3.92,;5.83,3.9,;6.62,5.24,;5.85,6.59,;4.31,6.59,;3.53,5.26,;2.02,4.95,)|
Show InChI InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2/t15-/m1/s1
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13n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164611
PNG
((2R)-3'-(5-ethylthien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES CCc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:9.19,(12.9,.48,;11.79,1.56,;10.31,1.11,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|
Show InChI InChI=1S/C15H20N2O2S/c1-2-12-3-4-13(20-12)17-10-15(19-14(17)18)9-16-7-5-11(15)6-8-16/h3-4,11H,2,5-10H2,1H3/t15-/m1/s1
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21n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164621
PNG
((2R)-3'-(2-naphthyl)-2'H-spiro[4-azabicyclo[2.2.2]...)
Show SMILES O=C1O[C@@]2(CN1c1ccc3ccccc3c1)CN1CCC2CC1 |wU:3.2,(2.22,3.45,;1.27,2.24,;-.27,2.28,;-.8,.83,;.43,-.12,;1.71,.76,;3.25,.79,;3.98,2.12,;5.53,2.14,;6.32,.81,;7.86,.83,;8.64,-.49,;7.89,-1.83,;6.34,-1.86,;5.56,-.52,;4.03,-.55,;-.8,-.71,;-2.13,-1.48,;-3.45,-.71,;-3.45,.83,;-2.13,1.61,;-2.75,.41,;-1.65,-.22,)|
Show InChI InChI=1S/C19H20N2O2/c22-18-21(17-6-5-14-3-1-2-4-15(14)11-17)13-19(23-18)12-20-9-7-16(19)8-10-20/h1-6,11,16H,7-10,12-13H2/t19-/m1/s1
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31n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164627
PNG
((2R)-3'-(5-isopropylthien-2-yl)-2'H-spiro[4-azabic...)
Show SMILES CC(C)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:10.20,(12.9,.48,;11.79,1.56,;12.14,3.05,;10.31,1.11,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|
Show InChI InChI=1S/C16H22N2O2S/c1-11(2)13-3-4-14(21-13)18-10-16(20-15(18)19)9-17-7-5-12(16)6-8-17/h3-4,11-12H,5-10H2,1-2H3/t16-/m1/s1
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65n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149147
PNG
(2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophe...)
Show SMILES O=C(CC1CN2CCC1CC2)c1cc2ccccc2s1 |(-.02,-.61,;-.02,.93,;-1.35,1.7,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,)|
Show InChI InChI=1S/C17H19NOS/c19-15(9-14-11-18-7-5-12(14)6-8-18)17-10-13-3-1-2-4-16(13)20-17/h1-4,10,12,14H,5-9,11H2
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65n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164622
PNG
((2R)-3'-(1-benzothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES O=C1O[C@@]2(CN1c1cc3ccccc3s1)CN1CCC2CC1 |wU:3.2,(3.96,6.36,;3,5.13,;1.47,5.16,;.94,3.71,;2.16,2.78,;3.45,3.67,;4.99,3.67,;5.91,2.43,;7.36,2.92,;8.69,2.17,;10.02,2.94,;10,4.49,;8.67,5.24,;7.36,4.46,;5.88,4.93,;.94,2.17,;-.39,1.4,;.09,2.66,;-1.02,3.3,;-.39,4.49,;-1.72,3.71,;-1.72,2.17,)|
Show InChI InChI=1S/C17H18N2O2S/c20-16-19(15-9-12-3-1-2-4-14(12)22-15)11-17(21-16)10-18-7-5-13(17)6-8-18/h1-4,9,13H,5-8,10-11H2/t17-/m1/s1
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75n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164612
PNG
((2R)-3'-thien-2-yl-2'H-spiro[4-azabicyclo[2.2.2]oc...)
Show SMILES O=C1O[C@@]2(CN1c1cccs1)CN1CCC2CC1 |wU:3.2,(.41,3.64,;-.55,2.43,;-2.08,2.46,;-2.61,1.01,;-1.4,.06,;-.11,.95,;1.43,.96,;1.9,-.5,;3.45,-.5,;3.93,.96,;2.68,1.87,;-2.61,-.54,;-3.95,-1.3,;-3.46,-.05,;-4.58,.6,;-3.95,1.79,;-5.28,1.01,;-5.28,-.54,)|
Show InChI InChI=1S/C13H16N2O2S/c16-12-15(11-2-1-7-18-11)9-13(17-12)8-14-5-3-10(13)4-6-14/h1-2,7,10H,3-6,8-9H2/t13-/m1/s1
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80n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164619
PNG
(5-[(2R)-2'-oxo-3'H-spiro[4-azabicyclo[2.2.2]octane...)
Show SMILES O=C1O[C@@]2(CN1c1ccc(s1)C#N)CN1CCC2CC1 |wU:3.2,(4.73,4.39,;3.79,3.17,;2.25,3.22,;1.71,1.77,;2.95,.82,;4.22,1.7,;5.67,1.18,;6.1,-.29,;7.65,-.34,;8.17,1.11,;6.94,2.06,;9.64,1.54,;11.13,1.98,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,)|
Show InChI InChI=1S/C14H15N3O2S/c15-7-11-1-2-12(20-11)17-9-14(19-13(17)18)8-16-5-3-10(14)4-6-16/h1-2,10H,3-6,8-9H2/t14-/m1/s1
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85n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164628
PNG
((2R)-3'-[5-(1-hydroxyethyl)thien-2-yl]-2'H-spiro[4...)
Show SMILES CC(O)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:10.20,(10.76,.48,;9.64,1.56,;10.01,3.06,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;.87,.72,;-.23,1.35,;.38,2.54,;-.94,1.77,;-.94,.23,;2.25,3.22,;3.79,3.17,;4.73,4.39,)|
Show InChI InChI=1S/C15H20N2O3S/c1-10(18)12-2-3-13(21-12)17-9-15(20-14(17)19)8-16-6-4-11(15)5-7-16/h2-3,10-11,18H,4-9H2,1H3/t10?,15-/m1/s1
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145n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164614
PNG
((2R)-3'-(5-acetylthien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES CC(=O)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:10.20,(10.76,.48,;9.64,1.56,;10.01,3.06,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)|
Show InChI InChI=1S/C15H18N2O3S/c1-10(18)12-2-3-13(21-12)17-9-15(20-14(17)19)8-16-6-4-11(15)5-7-16/h2-3,11H,4-9H2,1H3/t15-/m1/s1
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190n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50190687
PNG
((R)-3'-(indan-5-yl)spiro[-1-azabicyclo[2.2.2]octan...)
Show SMILES O=C1O[C@]2(CN1c1ccc3CCCc3c1)CN1CCC2CC1 |wU:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(14.11,.37,;12.62,.78,;12.07,2.22,;10.53,2.14,;10.12,.65,;11.42,-.19,;11.49,-1.74,;10.3,-2.73,;10.57,-4.26,;12.02,-4.78,;12.59,-6.21,;14.12,-6.1,;14.5,-4.61,;13.19,-3.79,;12.93,-2.27,;10.25,3.53,;8.9,4.15,;7.43,3.5,;7.62,2.12,;9.16,2.78,;9.42,4.68,;8.97,5.79,)|
Show InChI InChI=1S/C18H22N2O2/c21-17-20(16-5-4-13-2-1-3-14(13)10-16)12-18(22-17)11-19-8-6-15(18)7-9-19/h4-5,10,15H,1-3,6-9,11-12H2/t18-/m0/s1
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200n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164608
PNG
((2S)-3'-(2-naphthyl)-2'H-spiro[4-azabicyclo[2.2.2]...)
Show SMILES O=C1O[C@]2(CN1c1ccc3ccccc3c1)CN1CCC2CC1 |wD:3.2,(3.77,3.1,;2.81,1.89,;1.28,1.93,;.75,.48,;1.97,-.45,;3.25,.42,;4.79,.44,;5.53,1.77,;7.07,1.8,;7.86,.47,;9.39,.48,;10.18,-.82,;9.41,-2.18,;7.87,-2.19,;7.1,-.87,;5.56,-.89,;.75,-1.06,;-.58,-1.82,;-1.91,-1.06,;-1.91,.48,;-.58,1.26,;-1.21,.07,;-.09,-.57,)|
Show InChI InChI=1S/C19H20N2O2/c22-18-21(17-6-5-14-3-1-2-4-15(14)11-17)13-19(23-18)12-20-9-7-16(19)8-10-20/h1-6,11,16H,7-10,12-13H2/t19-/m0/s1
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205n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11|
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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220n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1 |(13.73,-1.27,;14.13,.22,;13.16,1.42,;14.01,2.72,;15.5,2.31,;15.5,3.85,;16.83,4.63,;18.16,3.85,;18.16,2.31,;16.83,1.55,;16.25,2.54,;17.59,3.3,;15.58,.77,)|
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
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340n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164629
PNG
((2R)-3'-(1-benzofuran-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES O=C1O[C@@]2(CN1c1cc3ccccc3o1)CN1CCC2CC1 |wU:3.2,(2.49,2.31,;1.55,1.09,;.01,1.14,;-.53,-.31,;.7,-1.26,;1.98,-.38,;3.52,-.36,;4.44,-1.6,;5.89,-1.12,;7.24,-1.88,;8.57,-1.09,;8.55,.45,;7.21,1.19,;5.89,.41,;4.43,.88,;-.53,-1.86,;-1.87,-2.63,;-1.37,-1.37,;-2.48,-.73,;-1.87,.46,;-3.19,-.31,;-3.19,-1.86,)|
Show InChI InChI=1S/C17H18N2O3/c20-16-19(15-9-12-3-1-2-4-14(12)21-15)11-17(22-16)10-18-7-5-13(17)6-8-18/h1-4,9,13H,5-8,10-11H2/t17-/m1/s1
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370n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164615
PNG
((2R)-3'-(1,3-benzothiazol-2-yl)-2'H-spiro[4-azabic...)
Show SMILES O=C1O[C@@]2(CN1c1nc3ccccc3s1)CN1CCC2CC1 |wU:3.2,(3.13,3.83,;2.18,2.61,;.64,2.65,;.12,1.21,;1.34,.27,;2.61,1.14,;4.14,1.16,;5.05,-.08,;6.51,.41,;7.85,-.35,;9.18,.44,;9.16,1.98,;7.83,2.72,;6.5,1.94,;5.05,2.4,;.12,-.33,;-1.21,-1.1,;-.74,.16,;-1.84,.79,;-1.21,1.98,;-2.54,1.21,;-2.54,-.33,)|
Show InChI InChI=1S/C16H17N3O2S/c20-15-19(14-17-12-3-1-2-4-13(12)22-14)10-16(21-15)9-18-7-5-11(16)6-8-18/h1-4,11H,5-10H2/t16-/m1/s1
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430n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164624
PNG
((2R)-3'-quinolin-2-yl-2'H-spiro[4-azabicyclo[2.2.2...)
Show SMILES O=C1O[C@@]2(CN1c1ccc3ccccc3n1)CN1CCC2CC1 |wU:3.2,(4.74,1.79,;3.8,.58,;2.27,.61,;1.73,-.84,;2.96,-1.78,;4.23,-.89,;5.77,-.89,;6.52,.46,;8.06,.48,;8.85,-.85,;10.37,-.84,;11.16,-2.15,;10.41,-3.5,;8.87,-3.51,;8.08,-2.19,;6.56,-2.22,;1.73,-2.38,;.4,-3.13,;-.91,-2.38,;-.91,-.84,;.4,-.05,;-.21,-1.24,;.89,-1.89,)|
Show InChI InChI=1S/C18H19N3O2/c22-17-21(16-6-5-13-3-1-2-4-15(13)19-16)12-18(23-17)11-20-9-7-14(18)8-10-20/h1-6,14H,7-12H2/t18-/m1/s1
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450n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149143
PNG
(3-(2-Benzo[b]thiophen-2-yl-ethyl)-1-aza-bicyclo[2....)
Show SMILES C(Cc1cc2ccccc2s1)C1CN2CCC1CC2 |(-1.35,1.7,;-.02,.93,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,)|
Show InChI InChI=1S/C17H21NS/c1-2-4-17-14(3-1)11-16(19-17)6-5-15-12-18-9-7-13(15)8-10-18/h1-4,11,13,15H,5-10,12H2
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n/an/a 23n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149143
PNG
(3-(2-Benzo[b]thiophen-2-yl-ethyl)-1-aza-bicyclo[2....)
Show SMILES C(Cc1cc2ccccc2s1)C1CN2CCC1CC2 |(-1.35,1.7,;-.02,.93,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,)|
Show InChI InChI=1S/C17H21NS/c1-2-4-17-14(3-1)11-16(19-17)6-5-15-12-18-9-7-13(15)8-10-18/h1-4,11,13,15H,5-10,12H2
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n/an/a 23n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149143
PNG
(3-(2-Benzo[b]thiophen-2-yl-ethyl)-1-aza-bicyclo[2....)
Show SMILES C(Cc1cc2ccccc2s1)C1CN2CCC1CC2 |(-1.35,1.7,;-.02,.93,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,)|
Show InChI InChI=1S/C17H21NS/c1-2-4-17-14(3-1)11-16(19-17)6-5-15-12-18-9-7-13(15)8-10-18/h1-4,11,13,15H,5-10,12H2
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n/an/a 23n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149146
PNG
((S)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...)
Show SMILES C(O[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1 |wD:2.1,(.52,2.64,;-.81,3.43,;-2.15,2.66,;-2.15,1.11,;-3.48,.34,;-3.04,1.54,;-4.11,2.26,;-3.48,3.43,;-4.81,2.66,;-4.81,1.11,;1.86,3.41,;3.26,2.78,;4.29,3.92,;5.83,3.9,;6.62,5.24,;5.85,6.59,;4.31,6.59,;3.53,5.26,;2.02,4.95,)|
Show InChI InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2/t15-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149145
PNG
(3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo[2.2...)
Show SMILES C(OC1CN2CCC1CC2)c1cc2ccccc2s1 |(1.22,.88,;-.11,1.65,;-1.44,.88,;-1.44,-.66,;-2.77,-1.42,;-2.33,-.22,;-3.38,.49,;-2.77,1.66,;-4.1,.88,;-4.1,-.66,;2.57,1.65,;3.97,1.02,;4.99,2.15,;6.53,2.14,;7.31,3.47,;6.54,4.82,;5,4.82,;4.23,3.49,;2.73,3.17,)|
Show InChI InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2
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n/an/a 59n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149148
PNG
(3-Benzo[b]thiophen-2-ylmethyl-1-aza-bicyclo[2.2.2]...)
Show SMILES C(C1CN2CCC1CC2)c1cc2ccccc2s1 |(-1.18,-.17,;-2.52,-.94,;-2.52,-2.48,;-3.85,-3.26,;-5.18,-2.48,;-5.18,-.94,;-3.85,-.17,;-4.46,-1.34,;-3.4,-2.06,;-1.17,1.35,;.19,2.09,;-.09,3.6,;.85,4.83,;.26,6.25,;-1.28,6.46,;-2.21,5.23,;-1.63,3.81,;-2.29,2.42,)|
Show InChI InChI=1S/C16H19NS/c1-2-4-16-13(3-1)9-15(18-16)10-14-11-17-7-5-12(14)6-8-17/h1-4,9,12,14H,5-8,10-11H2
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n/an/a 110n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149147
PNG
(2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophe...)
Show SMILES O=C(CC1CN2CCC1CC2)c1cc2ccccc2s1 |(-.02,-.61,;-.02,.93,;-1.35,1.7,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,)|
Show InChI InChI=1S/C17H19NOS/c19-15(9-14-11-18-7-5-12(14)6-8-18)17-10-13-3-1-2-4-16(13)20-17/h1-4,10,12,14H,5-9,11H2
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n/an/a 130n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149147
PNG
(2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophe...)
Show SMILES O=C(CC1CN2CCC1CC2)c1cc2ccccc2s1 |(-.02,-.61,;-.02,.93,;-1.35,1.7,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,)|
Show InChI InChI=1S/C17H19NOS/c19-15(9-14-11-18-7-5-12(14)6-8-18)17-10-13-3-1-2-4-16(13)20-17/h1-4,10,12,14H,5-9,11H2
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n/an/a 130n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149147
PNG
(2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophe...)
Show SMILES O=C(CC1CN2CCC1CC2)c1cc2ccccc2s1 |(-.02,-.61,;-.02,.93,;-1.35,1.7,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,)|
Show InChI InChI=1S/C17H19NOS/c19-15(9-14-11-18-7-5-12(14)6-8-18)17-10-13-3-1-2-4-16(13)20-17/h1-4,10,12,14H,5-9,11H2
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n/an/a 130n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149140
PNG
(3-(Naphthalen-2-ylmethoxy)-1-aza-bicyclo[2.2.2]oct...)
Show SMILES C(OC1CN2CCC1CC2)c1ccc2ccccc2c1 |(1.22,.88,;-.11,1.65,;-1.44,.88,;-1.44,-.66,;-2.77,-1.42,;-4.1,-.66,;-4.1,.88,;-2.77,1.66,;-3.38,.49,;-2.33,-.22,;2.57,1.65,;3.88,.86,;5.23,1.63,;5.23,3.17,;6.56,3.94,;6.56,5.48,;5.23,6.27,;3.88,5.48,;3.88,3.94,;2.55,3.17,)|
Show InChI InChI=1S/C18H21NO/c1-2-4-17-11-14(5-6-15(17)3-1)13-20-18-12-19-9-7-16(18)8-10-19/h1-6,11,16,18H,7-10,12-13H2
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n/an/a 150n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinities of the compound for the alpha 7 nicotinic acetylcholine receptor was determined in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149151
PNG
(3-(3-Benzo[b]thiophen-2-yl-propyl)-1-aza-bicyclo[2...)
Show SMILES C(CC1CN2CCC1CC2)Cc1cc2ccccc2s1 |(-1.31,-.8,;-2.64,-.02,;-3.99,-.78,;-3.99,-2.32,;-5.32,-3.09,;-4.88,-1.89,;-5.94,-1.18,;-5.32,-.01,;-6.66,-.78,;-6.66,-2.32,;.03,-.03,;1.36,-.8,;1.74,-2.29,;3.27,-2.39,;4.22,-3.62,;5.73,-3.41,;6.32,-1.97,;5.39,-.76,;3.84,-.97,;2.67,.02,)|
Show InChI InChI=1S/C18H23NS/c1-2-7-18-15(4-1)12-17(20-18)6-3-5-16-13-19-10-8-14(16)9-11-19/h1-2,4,7,12,14,16H,3,5-6,8-11,13H2
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n/an/a 370n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149138
PNG
((R)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...)
Show SMILES C(O[C@H]1CN2CCC1CC2)c1cc2ccccc2s1 |wU:2.1,(.52,2.64,;-.81,3.43,;-2.15,2.66,;-2.15,1.11,;-3.48,.34,;-3.04,1.54,;-4.11,2.26,;-3.48,3.43,;-4.81,2.66,;-4.81,1.11,;1.86,3.41,;3.26,2.78,;4.29,3.92,;5.83,3.9,;6.62,5.24,;5.85,6.59,;4.31,6.59,;3.53,5.26,;2.02,4.95,)|
Show InChI InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2/t15-/m0/s1
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n/an/a 515n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149149
PNG
(3-(Naphthalen-1-ylmethoxy)-1-aza-bicyclo[2.2.2]oct...)
Show SMILES C(OC1CN2CCC1CC2)c1cccc2ccccc12 |(1.22,.88,;-.11,1.65,;-1.44,.88,;-1.44,-.66,;-2.77,-1.43,;-4.11,-.66,;-4.11,.88,;-2.77,1.66,;-3.39,.49,;-2.33,-.22,;2.57,1.65,;2.56,3.18,;3.89,3.95,;5.24,3.17,;5.24,1.63,;6.55,.86,;6.55,-.66,;5.22,-1.43,;3.89,-.66,;3.89,.87,)|
Show InChI InChI=1S/C18H21NO/c1-2-7-17-14(4-1)5-3-6-16(17)13-20-18-12-19-10-8-15(18)9-11-19/h1-7,15,18H,8-13H2
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n/an/a 730n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinities of the compound for the alpha 7 nicotinic acetylcholine receptor was determined in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149150
PNG
(3-(2,4-Dimethoxy-benzyl)-[2,3']bipyridinyl | CHEMB...)
Show SMILES COc1ccc(Cc2cccnc2-c2cccnc2)c(OC)c1
Show InChI InChI=1S/C19H18N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3-10,12-13H,11H2,1-2H3
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n/an/a 760n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149142
PNG
((1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[b]thiophen-2-...)
Show SMILES O=C(C1CN2CCC1CC2)c1cc2ccccc2s1 |(.15,-.96,;-1.18,-.17,;-2.52,-.94,;-2.52,-2.48,;-3.85,-3.26,;-3.4,-2.06,;-4.46,-1.34,;-3.85,-.17,;-5.18,-.94,;-5.18,-2.48,;-1.17,1.35,;.19,2.09,;-.09,3.6,;.85,4.83,;.26,6.25,;-1.28,6.46,;-2.21,5.23,;-1.63,3.81,;-2.29,2.42,)|
Show InChI InChI=1S/C16H17NOS/c18-16(13-10-17-7-5-11(13)6-8-17)15-9-12-3-1-2-4-14(12)19-15/h1-4,9,11,13H,5-8,10H2
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n/an/a 950n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164609
PNG
(3'-phenyl-2'H-spiro[4-azabicyclo[2.2.2]octane-2,5'...)
Show SMILES O=C1OC2(CN1c1ccccc1)CN1CCC2CC1 |(.4,3.63,;-.55,2.42,;-2.08,2.45,;-2.61,1,;-1.39,.06,;-.11,.95,;1.42,.96,;2.17,2.3,;3.7,2.33,;4.49,1,;3.74,-.33,;2.2,-.36,;-2.61,-.54,;-3.94,-1.29,;-3.46,-.05,;-4.57,.6,;-3.94,1.79,;-5.27,1,;-5.27,-.54,)|
Show InChI InChI=1S/C15H18N2O2/c18-14-17(13-4-2-1-3-5-13)11-15(19-14)10-16-8-6-12(15)7-9-16/h1-5,12H,6-11H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164610
PNG
((2S)-3'-(1-benzothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES O=C1O[C@]2(CN1c1cc3ccccc3s1)CN1CCC2CC1 |wD:3.2,(2.14,5.7,;1.18,4.49,;-.35,4.52,;-.88,3.07,;.34,2.12,;1.62,3.01,;3.17,3.02,;4.08,1.78,;5.53,2.27,;6.86,1.51,;8.2,2.29,;8.17,3.84,;6.84,4.6,;5.53,3.81,;4.06,4.27,;-.88,1.52,;-2.22,.76,;-1.73,2.01,;-2.85,2.66,;-2.22,3.85,;-3.55,3.07,;-3.55,1.52,)|
Show InChI InChI=1S/C17H18N2O2S/c20-16-19(15-9-12-3-1-2-4-14(12)22-15)11-17(21-16)10-18-7-5-13(17)6-8-18/h1-4,9,13H,5-8,10-11H2/t17-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164616
PNG
((2R)-3'-(1,3-benzoxazol-2-yl)-2'H-spiro[4-azabicyc...)
Show SMILES O=C1O[C@@]2(CN1c1nc3ccccc3o1)CN1CCC2CC1 |wU:3.2,(-.49,4.36,;-1.44,3.15,;-2.98,3.18,;-3.5,1.73,;-2.28,.79,;-1,1.67,;.52,1.68,;1.43,.44,;2.9,.93,;4.24,.18,;5.57,.96,;5.55,2.49,;4.21,3.24,;2.88,2.47,;1.43,2.94,;-3.5,.19,;-4.84,-.57,;-4.36,.68,;-5.46,1.32,;-4.84,2.52,;-6.16,1.73,;-6.16,.19,)|
Show InChI InChI=1S/C16H17N3O3/c20-15-19(14-17-12-3-1-2-4-13(12)21-14)10-16(22-15)9-18-7-5-11(16)6-8-18/h1-4,11H,5-10H2/t16-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164617
PNG
((2R)-3'-pyridin-2-yl-2'H-spiro[4-azabicyclo[2.2.2]...)
Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CN1CCC2CC1 |wU:3.2,(3.94,7.11,;3,5.89,;1.46,5.94,;.92,4.49,;2.15,3.55,;3.42,4.41,;4.97,4.44,;5.76,3.1,;7.29,3.13,;8.05,4.49,;7.25,5.8,;5.72,5.77,;.92,2.94,;-.41,2.17,;-1.73,2.94,;-1.73,4.49,;-.41,5.26,;-1.03,4.06,;.08,3.43,)|
Show InChI InChI=1S/C14H17N3O2/c18-13-17(12-3-1-2-6-15-12)10-14(19-13)9-16-7-4-11(14)5-8-16/h1-3,6,11H,4-5,7-10H2/t14-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164620
PNG
((2R)-3'-(4-methylthien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES Cc1csc(c1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(10.66,-1.61,;9.78,-.33,;10.31,1.11,;9.08,2.05,;7.82,1.18,;8.24,-.29,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|
Show InChI InChI=1S/C14H18N2O2S/c1-10-6-12(19-7-10)16-9-14(18-13(16)17)8-15-4-2-11(14)3-5-15/h6-7,11H,2-5,8-9H2,1H3/t14-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164623
PNG
((2R)-3'-(3-methylthien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES Cc1ccsc1N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(7.31,-1.52,;8.24,-.29,;9.78,-.33,;10.31,1.11,;9.08,2.05,;7.82,1.18,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|
Show InChI InChI=1S/C14H18N2O2S/c1-10-4-7-19-12(10)16-9-14(18-13(16)17)8-15-5-2-11(14)3-6-15/h4,7,11H,2-3,5-6,8-9H2,1H3/t14-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164625
PNG
((2R)-3'-(4,5-dimethylthien-2-yl)-2'H-spiro[4-azabi...)
Show SMILES Cc1cc(sc1C)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:9.19,(10.66,-1.61,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;10.31,1.11,;11.79,1.56,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)|
Show InChI InChI=1S/C15H20N2O2S/c1-10-7-13(20-11(10)2)17-9-15(19-14(17)18)8-16-5-3-12(15)4-6-16/h7,12H,3-6,8-9H2,1-2H3/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50164626
PNG
((2R)-3'-thien-3-yl-2'H-spiro[4-azabicyclo[2.2.2]oc...)
Show SMILES O=C1O[C@@]2(CN1c1ccsc1)CN1CCC2CC1 |wU:3.2,(6.14,3.83,;5.19,2.61,;3.66,2.65,;3.13,1.21,;4.35,.27,;5.63,1.14,;7.16,1.16,;7.64,-.29,;9.18,-.29,;9.66,1.16,;8.41,2.07,;3.13,-.33,;1.8,-1.1,;2.29,.16,;1.17,.79,;1.8,1.98,;.47,1.21,;.47,-.33,)|
Show InChI InChI=1S/C13H16N2O2S/c16-12-15(11-3-6-18-7-11)9-13(17-12)8-14-4-1-10(13)2-5-14/h3,6-7,10H,1-2,4-5,8-9H2/t13-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50190684
PNG
((R)-3'-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazo...)
Show SMILES Cn1c2ccc(cc2sc1=O)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(22.74,-23.72,;23.45,-22.36,;22.77,-20.99,;21.29,-20.58,;20.91,-19.1,;22,-18.02,;23.48,-18.43,;23.87,-19.91,;25.23,-20.62,;24.98,-22.14,;26.05,-23.24,;21.9,-16.11,;20.31,-15.06,;20.8,-13.22,;20.46,-11.49,;18.78,-10.73,;16.96,-11.53,;17.2,-13.25,;19.11,-12.43,;19.42,-10.07,;18.87,-8.7,;22.71,-13.12,;23.39,-14.91,;25.24,-15.4,)|
Show InChI InChI=1S/C17H19N3O3S/c1-18-13-3-2-12(8-14(13)24-16(18)22)20-10-17(23-15(20)21)9-19-6-4-11(17)5-7-19/h2-3,8,11H,4-7,9-10H2,1H3/t17-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50190695
PNG
((R)-3'-(quinolin-6-yl)spiro[1-azabicyclo[2.2.2]oct...)
Show SMILES O=C1O[C@]2(CN1c1ccc3ncccc3c1)CN1CCC2CC1 |wU:3.2,TLB:4:3:19.18:21.22,THB:2:3:19.18:21.22,(23.22,.49,;21.73,.89,;21.19,2.32,;19.65,2.25,;19.24,.76,;20.53,-.08,;20.6,-1.62,;19.42,-2.61,;19.69,-4.13,;21.14,-4.66,;21.41,-6.18,;22.86,-6.69,;24.04,-5.68,;23.75,-4.17,;22.31,-3.66,;22.04,-2.16,;19.36,3.65,;18.02,4.25,;16.55,3.61,;16.74,2.23,;18.28,2.89,;18.54,4.78,;18.09,5.89,)|
Show InChI InChI=1S/C18H19N3O2/c22-17-21(15-3-4-16-13(10-15)2-1-7-19-16)12-18(23-17)11-20-8-5-14(18)6-9-20/h1-4,7,10,14H,5-6,8-9,11-12H2/t18-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50190698
PNG
((R)-3'-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-...)
Show SMILES Cn1c2ccc(cc2oc1=O)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(13.44,-22.67,;14.15,-21.31,;13.47,-19.94,;11.99,-19.53,;11.61,-18.05,;12.7,-16.97,;14.18,-17.38,;14.57,-18.86,;15.93,-19.57,;15.67,-21.09,;16.75,-22.18,;12.6,-15.05,;11.01,-14.01,;11.5,-12.17,;11.16,-10.43,;9.48,-9.68,;7.66,-10.48,;7.9,-12.2,;9.81,-11.38,;10.12,-9.02,;9.57,-7.65,;13.4,-12.07,;14.09,-13.86,;15.94,-14.35,)|
Show InChI InChI=1S/C17H19N3O4/c1-18-13-3-2-12(8-14(13)23-15(18)21)20-10-17(24-16(20)22)9-19-6-4-11(17)5-7-19/h2-3,8,11H,4-7,9-10H2,1H3/t17-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50149144
PNG
(3-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophe...)
Show SMILES O=C(CCC1CN2CCC1CC2)c1cc2ccccc2s1 |(.03,1.51,;.03,-.03,;-1.31,-.8,;-2.64,-.02,;-3.99,-.78,;-3.99,-2.32,;-5.32,-3.09,;-4.88,-1.89,;-5.94,-1.18,;-5.32,-.01,;-6.66,-.78,;-6.66,-2.32,;1.36,-.8,;1.74,-2.29,;3.27,-2.39,;4.22,-3.62,;5.73,-3.41,;6.32,-1.97,;5.39,-.76,;3.84,-.97,;2.67,.02,)|
Show InChI InChI=1S/C18H21NOS/c20-16(18-11-14-3-1-2-4-17(14)21-18)6-5-15-12-19-9-7-13(15)8-10-19/h1-4,11,13,15H,5-10,12H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.091
BindingDB Entry DOI: 10.7270/Q2X066G1
More data for this
Ligand-Target Pair
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