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Compile Data Set for Download or QSAR

Found 282 hits with Last Name = 'horikawa' and Initial = 't'   
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


(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
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


(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
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


(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
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


(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
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


(Rattus norvegicus (Rat))
BDBM50149143
PNG
(3-(2-Benzo[b]thiophen-2-yl-ethyl)-1-aza-bicyclo[2....)
Show SMILES C(Cc1cc2ccccc2s1)C1CN2CCC1CC2
Show InChI InChI=1/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 0.0230n/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


(Rattus norvegicus (Rat))
BDBM50149146
PNG
((S)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...)
Show SMILES C(O[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1
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 0.0260n/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


(Rattus norvegicus (Rat))
BDBM50149145
PNG
(3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo[2.2...)
Show SMILES C(OC1CN2CCC1CC2)c1cc2ccccc2s1
Show InChI InChI=1/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 0.0590n/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


(Rattus norvegicus (Rat))
BDBM50149143
PNG
(3-(2-Benzo[b]thiophen-2-yl-ethyl)-1-aza-bicyclo[2....)
Show SMILES C(Cc1cc2ccccc2s1)C1CN2CCC1CC2
Show InChI InChI=1/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 0.0650n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269429
PNG
(CHEMBL4084855)
Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-4-6-17(29-3)7-5-16)10-11-27(15)21-24-19(12-20(28)25(21)2)18-8-9-22-14-23-18/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149148
PNG
(3-Benzo[b]thiophen-2-ylmethyl-1-aza-bicyclo[2.2.2]...)
Show SMILES C(C1CN2CCC1CC2)c1cc2ccccc2s1
Show InChI InChI=1/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 0.110n/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


(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
Show InChI InChI=1/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 0.130n/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


(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
Show InChI InChI=1/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 0.150n/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


(Rattus norvegicus (Rat))
BDBM50149140
PNG
(3-(Naphthalen-2-ylmethoxy)-1-aza-bicyclo[2.2.2]oct...)
Show SMILES C(OC1CN2CCC1CC2)c1ccc2ccccc2c1
Show InChI InChI=1/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 0.150n/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


(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
Show InChI InChI=1/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 0.170n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269437
PNG
(CHEMBL4077376)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(18-6-4-3-5-15(18)21)9-10-27(14)20-24-17(11-19(28)25(20)2)16-7-8-22-13-23-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269428
PNG
(CHEMBL4063206)
Show SMILES COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-5-4-6-17(11-16)29-3)9-10-27(15)21-24-19(12-20(28)25(21)2)18-7-8-22-14-23-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3/t15-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149143
PNG
(3-(2-Benzo[b]thiophen-2-yl-ethyl)-1-aza-bicyclo[2....)
Show SMILES C(Cc1cc2ccccc2s1)C1CN2CCC1CC2
Show InChI InChI=1/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 0.220n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H
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n/an/a 0.25n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149151
PNG
(3-(3-Benzo[b]thiophen-2-yl-propyl)-1-aza-bicyclo[2...)
Show SMILES C(CC1CN2CCC1CC2)Cc1cc2ccccc2s1
Show InChI InChI=1/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 0.370n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269455
PNG
(CHEMBL4087402)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H
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n/an/a 0.400n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269438
PNG
(CHEMBL4076060)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269443
PNG
(CHEMBL4095848)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-4-15(21)10-16)8-9-27(14)20-24-18(11-19(28)25(20)2)17-6-7-22-13-23-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149138
PNG
((R)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...)
Show SMILES C(O[C@H]1CN2CCC1CC2)c1cc2ccccc2s1
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 0.515n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H
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n/an/a 0.720n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149149
PNG
(3-(Naphthalen-1-ylmethoxy)-1-aza-bicyclo[2.2.2]oct...)
Show SMILES C(OC1CN2CCC1CC2)c1cccc2ccccc12
Show InChI InChI=1/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 0.730n/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


(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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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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269440
PNG
(CHEMBL4065818)
Show SMILES COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(18-6-4-5-7-19(18)29-3)10-11-27(15)21-24-17(12-20(28)25(21)2)16-8-9-22-14-23-16/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269455
PNG
(CHEMBL4087402)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H
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n/an/a 0.900n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149142
PNG
((1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[b]thiophen-2-...)
Show SMILES O=C(C1CN2CCC1CC2)c1cc2ccccc2s1
Show InChI InChI=1/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 0.950n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269492
PNG
(CHEMBL4067532)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13/h2-6,9-10,12,17,22H,7-8,11H2,1H3
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269452
PNG
(CHEMBL4105346)
Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCN[C@H](C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN6O.ClH/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13;/h2-7,10,12,17,22H,8-9,11H2,1H3;1H/t17-;/m1./s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269439
PNG
(CHEMBL4077048)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269426
PNG
(CHEMBL3719193)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1
Show InChI InChI=1S/C20H22N6O/c1-15-13-25(16-6-4-3-5-7-16)10-11-26(15)20-23-18(12-19(27)24(20)2)17-8-9-21-14-22-17/h3-9,12,14-15H,10-11,13H2,1-2H3/t15-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269485
PNG
(CHEMBL4071429)
Show SMILES Cl.COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H20F2N6O2.ClH/c1-27-18(29)9-15(14-3-4-23-11-25-14)26-20(27)28-6-5-24-16(10-28)19-13(22)7-12(21)8-17(19)30-2;/h3-4,7-9,11,16,24H,5-6,10H2,1-2H3;1H
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n/an/a 1.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(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
Show InChI InChI=1/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 1.70n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269494
PNG
(CHEMBL4104714)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13/h2-7,10,12,17,22H,8-9,11H2,1H3
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269471
PNG
(CHEMBL4085821)
Show SMILES Cl.COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H23N5O2.ClH/c1-25-20(27)13-17(15-7-9-22-10-8-15)24-21(25)26-12-11-23-18(14-26)16-5-3-4-6-19(16)28-2;/h3-10,13,18,23H,11-12,14H2,1-2H3;1H
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269472
PNG
(CHEMBL4065624)
Show SMILES Cl.COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-16(15-7-8-21-13-23-15)24-20(25)26-10-9-22-17(12-26)14-5-3-4-6-18(14)28-2;/h3-8,11,13,17,22H,9-10,12H2,1-2H3;1H
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269484
PNG
(CHEMBL4098458)
Show SMILES Cl.COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H21F2N5O2.ClH/c1-27-19(29)11-16(13-3-5-24-6-4-13)26-21(27)28-8-7-25-17(12-28)20-15(23)9-14(22)10-18(20)30-2;/h3-6,9-11,17,25H,7-8,12H2,1-2H3;1H
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n/an/a 2n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269464
PNG
(CHEMBL4088777)
Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Br)c1
Show InChI InChI=1S/C19H19BrN6O.ClH/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13;/h2-6,9-10,12,17,22H,7-8,11H2,1H3;1H
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269431
PNG
(CHEMBL4074586)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H21N7O/c1-15-13-27(17-5-3-4-16(10-17)12-22)8-9-28(15)21-25-19(11-20(29)26(21)2)18-6-7-23-14-24-18/h3-7,10-11,14-15H,8-9,13H2,1-2H3/t15-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269457
PNG
(CHEMBL4072455)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl2N6O/c1-26-18(28)9-16(15-4-5-22-11-24-15)25-19(26)27-7-6-23-17(10-27)12-2-3-13(20)14(21)8-12/h2-5,8-9,11,17,23H,6-7,10H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149139
PNG
(Benzoclidine | Benzoic acid 1-aza-bicyclo[2.2.2]oc...)
Show SMILES O=C(OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1/C14H17NO2/c16-14(12-4-2-1-3-5-12)17-13-10-15-8-6-11(13)7-9-15/h1-5,11,13H,6-10H2
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n/an/a 2.60n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269489
PNG
(CHEMBL4073837)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1Cl
Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-4-2-3-5-14(13)20/h2-7,10,12,17,22H,8-9,11H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269413
PNG
(CHEMBL4093559)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H21N7O/c1-15-13-27(17-5-3-16(12-22)4-6-17)9-10-28(15)21-25-19(11-20(29)26(21)2)18-7-8-23-14-24-18/h3-8,11,14-15H,9-10,13H2,1-2H3/t15-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064157
PNG
(CHEMBL3401132)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@@H]2COC[C@@H]12
Show InChI InChI=1/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/s2
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n/an/a 3.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269493
PNG
(CHEMBL4096472)
Show SMILES Cl.COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-17(16-7-8-21-13-23-16)24-20(25)26-10-9-22-18(12-26)14-3-5-15(28-2)6-4-14;/h3-8,11,13,18,22H,9-10,12H2,1-2H3;1H
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n/an/a 3.5n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064156
PNG
(CHEMBL3401131)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@@H]2CCCC[C@@H]12
Show InChI InChI=1/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/s2
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n/an/a 3.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149141
PNG
(3-Benzyloxy-1-aza-bicyclo[2.2.2]octane | CHEMBL122...)
Show SMILES C(OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1/C14H19NO/c1-2-4-12(5-3-1)11-16-14-10-15-8-6-13(14)7-9-15/h1-5,13-14H,6-11H2
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n/an/a 3.70n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269415
PNG
(CHEMBL4065956)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccncc1
Show InChI InChI=1S/C19H21N7O/c1-14-12-25(15-3-6-20-7-4-15)9-10-26(14)19-23-17(11-18(27)24(19)2)16-5-8-21-13-22-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)

More data for this
Ligand-Target Pair
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