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Compile Data Set for Download or QSAR

Found 2198 hits Enz. Inhib. hit(s) with all data for entry = 4430   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69189
PNG
(4-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]b...)
Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc(cc1)C(O)=O)C(=O)OC
Show InChI InChI=1S/C21H18N2O6/c1-3-29-21(27)16-11-22-17-9-6-13(20(26)28-2)10-15(17)18(16)23-14-7-4-12(5-8-14)19(24)25/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69190
PNG
(2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinol...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H14N2O4S/c18-17(19)14-7-3-4-8-15(14)22(20,21)16-10-9-12-5-1-2-6-13(12)11-16/h1-8H,9-11H2
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50185083
PNG
(CHEMBL380184 | N-(3-carbamoyl-4,5,6,7-tetrahydrobe...)
Show SMILES NC(=O)c1c(NC(=O)c2ccncc2)sc2CCCCc12
Show InChI InChI=1S/C15H15N3O2S/c16-13(19)12-10-3-1-2-4-11(10)21-15(12)18-14(20)9-5-7-17-8-6-9/h5-8H,1-4H2,(H2,16,19)(H,18,20)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM63511
PNG
(MLS000856399 | N-(3-nitrophenyl)-3-phenyl-propanam...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)CCc2ccccc2)c1
Show InChI InChI=1S/C15H14N2O3/c18-15(10-9-12-5-2-1-3-6-12)16-13-7-4-8-14(11-13)17(19)20/h1-8,11H,9-10H2,(H,16,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM35454
PNG
(2-cyclopropyl-4-quinolinecarboxylic acid | 2-cyclo...)
Show SMILES OC(=O)c1cc(nc2ccccc12)C1CC1
Show InChI InChI=1S/C13H11NO2/c15-13(16)10-7-12(8-5-6-8)14-11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2,(H,15,16)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69191
PNG
(4-(1-azepanyl)-3-nitrobenzamide | 4-(azepan-1-yl)-...)
Show SMILES NC(=O)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H17N3O3/c14-13(17)10-5-6-11(12(9-10)16(18)19)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H2,14,17)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69192
PNG
(1-(4-chloranyl-2-nitro-phenyl)piperidine | 1-(4-ch...)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1N1CCCCC1
Show InChI InChI=1S/C11H13ClN2O2/c12-9-4-5-10(11(8-9)14(15)16)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM45625
PNG
(1-mercapto-4-(3-methylphenyl)-7,8-dihydro-6H-cyclo...)
Show SMILES Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
Show InChI InChI=1S/C17H14N4OS2/c1-9-4-2-5-10(8-9)20-14(22)13-11-6-3-7-12(11)24-15(13)21-16(20)18-19-17(21)23/h2,4-5,8H,3,6-7H2,1H3,(H,19,23)
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n/an/an/an/a 4.89E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69193
PNG
(1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo...)
Show SMILES COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cc(C)ccn1
Show InChI InChI=1S/C18H19N3O3/c1-12-7-8-19-16(9-12)20-18(23)13-10-17(22)21(11-13)14-3-5-15(24-2)6-4-14/h3-9,13H,10-11H2,1-2H3,(H,19,20,23)
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n/an/an/an/a 4.66E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69194
PNG
(3-(3-methyl-2-sulfanylidene-1-benzimidazolyl)propa...)
Show SMILES Cn1c2ccccc2n(CCC(O)=O)c1=S
Show InChI InChI=1S/C11H12N2O2S/c1-12-8-4-2-3-5-9(8)13(11(12)16)7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69195
PNG
(MLS000678328 | N'-[2-(benzylamino)-2-keto-ethyl]-N...)
Show SMILES O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1cccs1)Nc1ccccn1
Show InChI InChI=1S/C23H24N4O3S/c28-21(26-20-10-4-5-13-24-20)11-12-23(30)27(16-19-9-6-14-31-19)17-22(29)25-15-18-7-2-1-3-8-18/h1-10,13-14H,11-12,15-17H2,(H,25,29)(H,24,26,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69196
PNG
(3-(4-methylphenyl)-4-(pyridin-4-ylmethylideneamino...)
Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1N=Cc1ccncc1 |w:13.14|
Show InChI InChI=1S/C15H13N5S/c1-11-2-4-13(5-3-11)14-18-19-15(21)20(14)17-10-12-6-8-16-9-7-12/h2-10H,1H3,(H,19,21)/b17-10+
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n/an/an/an/a 1.15E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM59004
PNG
((5E)-5-(2-furanylmethylidene)-2-(4-hydroxyanilino)...)
Show SMILES Oc1ccc(NC2=NC(=O)C(S2)=Cc2ccco2)cc1 |w:12.13,t:6|
Show InChI InChI=1S/C14H10N2O3S/c17-10-5-3-9(4-6-10)15-14-16-13(18)12(20-14)8-11-2-1-7-19-11/h1-8,17H,(H,15,16,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69197
PNG
(MLS000713941 | N-[2-(3,4-dihydro-1H-isoquinolin-2-...)
Show SMILES COc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O
Show InChI InChI=1S/C19H22N2O4S/c1-25-18-10-6-5-9-17(18)21(26(2,23)24)14-19(22)20-12-11-15-7-3-4-8-16(15)13-20/h3-10H,11-14H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69198
PNG
(2-[(3-methyl-5-oxo-4-pyrazolyl)hydrazo]benzonitril...)
Show SMILES Cc1[nH][nH]c(=O)c1N=Nc1ccccc1C#N |w:7.7|
Show InChI InChI=1S/C11H7N5O/c1-7-10(11(17)16-13-7)15-14-9-5-3-2-4-8(9)6-12/h2-5H,1H3
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n/an/an/an/a 1.59E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69199
PNG
(MLS000692934 | N-(4-methyl-2-pyridinyl)-2-(4-nitro...)
Show SMILES Cc1ccnc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H13N3O3/c1-10-6-7-15-13(8-10)16-14(18)9-11-2-4-12(5-3-11)17(19)20/h2-8H,9H2,1H3,(H,15,16,18)
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n/an/an/an/a 2.14E+4n/an/an/an/a



Broad Institute

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Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69200
PNG
(9,9-dimethyl-6-(2-thienyl)-6,8,10,11-tetrahydro-5H...)
Show SMILES CC1(C)CC(=O)C2C(Nc3ccccc3N=C2C1)c1cccs1 |c:16|
Show InChI InChI=1S/C19H20N2OS/c1-19(2)10-14-17(15(22)11-19)18(16-8-5-9-23-16)21-13-7-4-3-6-12(13)20-14/h3-9,17-18,21H,10-11H2,1-2H3
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Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69201
PNG
(2-(6-nitro-1-indolyl)oxane-3,4,5-triol | 2-(6-nitr...)
Show SMILES OC1COC(C(O)C1O)n1ccc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H14N2O6/c16-10-6-21-13(12(18)11(10)17)14-4-3-7-1-2-8(15(19)20)5-9(7)14/h1-5,10-13,16-18H,6H2
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n/an/an/an/a>3.00E+5n/an/an/an/a



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Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69202
PNG
(MLS000688840 | N'-(3-methoxyphenyl)-N'-[2-oxidanyl...)
Show SMILES COc1cccc(c1)N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
Show InChI InChI=1S/C21H26N4O5S/c1-29-16-5-2-4-15(12-16)25(14-19(27)23-13-17-6-3-10-30-17)20(28)8-7-18(26)24-21-22-9-11-31-21/h2,4-5,9,11-12,17H,3,6-8,10,13-14H2,1H3,(H,23,27)(H,22,24,26)
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Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69203
PNG
(2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(10-phen...)
Show SMILES C[N+](C)=c1ccn(CC(=O)N2c3ccccc3Sc3ccccc23)cc1 |(7.44,13.06,;6.14,12.3,;4.83,13.06,;6.14,10.79,;7.44,10.04,;7.44,8.53,;6.14,7.78,;6.14,6.27,;4.83,5.51,;3.52,6.27,;4.83,4,;3.52,3.25,;2.18,4.06,;.81,3.28,;.81,1.71,;2.18,.94,;3.52,1.74,;4.83,.99,;6.14,1.74,;7.49,.94,;8.85,1.71,;8.85,3.28,;7.49,4.06,;6.14,3.25,;4.83,8.53,;4.83,10.04,)|
Show InChI InChI=1S/C21H20N3OS/c1-22(2)16-11-13-23(14-12-16)15-21(25)24-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)24/h3-14H,15H2,1-2H3/q+1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69204
PNG
(1-(2-chloranyl-4-nitro-phenyl)-4-methyl-piperazine...)
Show SMILES CN1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C11H14ClN3O2/c1-13-4-6-14(7-5-13)11-3-2-9(15(16)17)8-10(11)12/h2-3,8H,4-7H2,1H3
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


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Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69205
PNG
(MLS000687650 | N'-[2-[(4-methoxyphenyl)methylamino...)
Show SMILES COc1ccc(CNC(=O)CN(Cc2cccs2)C(=O)CCC(=O)Nc2ccccn2)cc1
Show InChI InChI=1S/C24H26N4O4S/c1-32-19-9-7-18(8-10-19)15-26-23(30)17-28(16-20-5-4-14-33-20)24(31)12-11-22(29)27-21-6-2-3-13-25-21/h2-10,13-14H,11-12,15-17H2,1H3,(H,26,30)(H,25,27,29)
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n/an/an/an/a 1.34E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69206
PNG
(2-(4-fluorophenyl)-6-methyl-4-thieno[2,3-d][1,3]ox...)
Show SMILES Cc1cc2c(nc(oc2=O)-c2ccc(F)cc2)s1
Show InChI InChI=1S/C13H8FNO2S/c1-7-6-10-12(18-7)15-11(17-13(10)16)8-2-4-9(14)5-3-8/h2-6H,1H3
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Broad Institute

Curated by PubChem BioAssay


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Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69207
PNG
(2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide | 2...)
Show SMILES CCCCC(CC)C(=O)Nc1ncc(s1)[N+]([O-])=O
Show InChI InChI=1S/C11H17N3O3S/c1-3-5-6-8(4-2)10(15)13-11-12-7-9(18-11)14(16)17/h7-8H,3-6H2,1-2H3,(H,12,13,15)
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n/an/an/an/a 6.42E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


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Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69208
PNG
(2-[(2-keto-5-methoxy-indol-3-yl)amino]isoindoline-...)
Show SMILES COc1ccc2=NC(=O)C(NN3C(=O)c4ccccc4C3=O)=c2c1 |c:23,t:5|
Show InChI InChI=1S/C17H11N3O4/c1-24-9-6-7-13-12(8-9)14(15(21)18-13)19-20-16(22)10-4-2-3-5-11(10)17(20)23/h2-8H,1H3,(H,18,19,21)
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Broad Institute

Curated by PubChem BioAssay


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Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69209
PNG
(MLS000706310 | N-[4-methyl-6-(1-oxopentylamino)-3-...)
Show SMILES CCCCC(=O)Nc1cc(C)c(NC(=O)c2cccs2)cn1
Show InChI InChI=1S/C16H19N3O2S/c1-3-4-7-15(20)19-14-9-11(2)12(10-17-14)18-16(21)13-6-5-8-22-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,21)(H,17,19,20)
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Broad Institute

Curated by PubChem BioAssay


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Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69210
PNG
(2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-y...)
Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C13H13N3O5S/c1-20-9-4-3-8(5-10(9)21-2)6-11(17)15-13-14-7-12(22-13)16(18)19/h3-5,7H,6H2,1-2H3,(H,14,15,17)
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n/an/an/an/a 8.40E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM57854
PNG
(1-(3-methylphenyl)-3-(1-phenylpropylideneamino)thi...)
Show SMILES CCC(=NNC(=S)Nc1cccc(C)c1)c1ccccc1 |w:3.3|
Show InChI InChI=1S/C17H19N3S/c1-3-16(14-9-5-4-6-10-14)19-20-17(21)18-15-11-7-8-13(2)12-15/h4-12H,3H2,1-2H3,(H2,18,20,21)
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Broad Institute

Curated by PubChem BioAssay


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Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM53969
PNG
(2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C22H17N5O3S2/c1-2-30-14-8-9-16-17(10-14)32-22(24-16)25-18(28)12-31-21-26-19(13-6-4-3-5-7-13)15(11-23)20(29)27-21/h3-10H,2,12H2,1H3,(H,24,25,28)(H,26,27,29)
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n/an/an/an/a 3.42E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69211
PNG
(MLS000687261 | SMR000283963 | cid_3137738)
Show SMILES [H]C12CC([H])(C=C1)C1C2C(=O)N(CCCCCCN2C(=O)C3C(C2=O)C2([H])CC3([H])C=C2)C1=O |c:5,34,TLB:32:7:2:6.5,23:22:27:30.31,THB:19:21:27:30.31,9:8:2:6.5|
Show InChI InChI=1S/C24H28N2O4/c27-21-17-13-5-6-14(11-13)18(17)22(28)25(21)9-3-1-2-4-10-26-23(29)19-15-7-8-16(12-15)20(19)24(26)30/h5-8,13-20H,1-4,9-12H2
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69212
PNG
(MLS000688723 | N-[(5-bromanylthiophen-2-yl)methyli...)
Show SMILES Brc1ccc(C=NNC(=O)c2cccnc2)s1
Show InChI InChI=1S/C11H8BrN3OS/c12-10-4-3-9(17-10)7-14-15-11(16)8-2-1-5-13-6-8/h1-7H,(H,15,16)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69213
PNG
(MLS000717641 | N-(6-methoxy-1,3-benzothiazol-2-yl)...)
Show SMILES COc1ccc2nc(NC(=O)C3CCCO3)sc2c1
Show InChI InChI=1S/C13H14N2O3S/c1-17-8-4-5-9-11(7-8)19-13(14-9)15-12(16)10-3-2-6-18-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15,16)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM28908
PNG
(N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]acetamide | ...)
Show SMILES CC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClN3O/c1-7(16)13-11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
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n/an/an/an/a 2.38E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69215
PNG
(2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)ace...)
Show SMILES Cc1ccc(CC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H11N3O3S/c1-8-2-4-9(5-3-8)6-10(16)14-12-13-7-11(19-12)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
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n/an/an/an/a 2.88E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM49844
PNG
(1,3-benzothiazol-2-yl-(4-methoxyphenyl)amine | MLS...)
Show SMILES COc1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C14H12N2OS/c1-17-11-8-6-10(7-9-11)15-14-16-12-4-2-3-5-13(12)18-14/h2-9H,1H3,(H,15,16)
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Broad Institute

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Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69217
PNG
(2-[cyano-[4-(dimethylamino)-6-methoxy-1,3,5-triazi...)
Show SMILES COc1nc(nc(n1)N(CCOC(C)=O)C#N)N(C)C
Show InChI InChI=1S/C11H16N6O3/c1-8(18)20-6-5-17(7-12)10-13-9(16(2)3)14-11(15-10)19-4/h5-6H2,1-4H3
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69218
PNG
(1-(2-ethylphenyl)-3-indolin-1-yl-pyrrolidine-2,5-q...)
Show SMILES CCc1ccccc1-n1c(O)cc(N2CCc3ccccc23)c1O |(13.37,-.43,;11.96,.2,;11.8,1.73,;13.05,2.64,;12.89,4.17,;11.49,4.8,;10.24,3.89,;10.4,2.36,;9.15,1.46,;7.69,1.94,;7.21,3.4,;6.78,.69,;7.68,-.55,;7.2,-2.02,;8.1,-3.26,;7.2,-4.5,;5.75,-4.03,;4.41,-4.8,;3.08,-4.03,;3.08,-2.49,;4.41,-1.72,;5.75,-2.49,;9.15,-.08,;10.39,-.99,)|
Show InChI InChI=1S/C20H20N2O2/c1-2-14-7-3-6-10-17(14)22-19(23)13-18(20(22)24)21-12-11-15-8-4-5-9-16(15)21/h3-10,13,23-24H,2,11-12H2,1H3
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM54329
PNG
(2-pyridylmethyl-[5-(2-thienyl)thieno[2,3-d]pyrimid...)
Show SMILES C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1
Show InChI InChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69219
PNG
(MLS000707957 | N-(4-morpholin-4-ylphenyl)-2-phenyl...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C18H20N2O2/c21-18(14-15-4-2-1-3-5-15)19-16-6-8-17(9-7-16)20-10-12-22-13-11-20/h1-9H,10-14H2,(H,19,21)
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PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69221
PNG
(MLS000856749 | N-(2-furanylmethyl)-2-[3-(2-methoxy...)
Show SMILES COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C18H17N3O4/c1-24-16-7-3-2-6-14(16)15-8-9-18(23)21(20-15)12-17(22)19-11-13-5-4-10-25-13/h2-10H,11-12H2,1H3,(H,19,22)
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PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69222
PNG
(1-(4-chloranyl-2-nitro-phenyl)pyrrolidine | 1-(4-c...)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1N1CCCC1
Show InChI InChI=1S/C10H11ClN2O2/c11-8-3-4-9(10(7-8)13(14)15)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
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PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69223
PNG
(1-phenyl-3-(4-pyridyl)urea | 1-phenyl-3-pyridin-4-...)
Show SMILES O=C(Nc1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h1-9H,(H2,13,14,15,16)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69224
PNG
(6,6-dimethyl-9-(2-thienyl)-1,5,7,9-tetrahydro-[1,2...)
Show SMILES CC1(C)CC(=O)C2C(c3cccs3)n3ncnc3N=C2C1 |c:20|
Show InChI InChI=1S/C15H16N4OS/c1-15(2)6-9-12(10(20)7-15)13(11-4-3-5-21-11)19-14(18-9)16-8-17-19/h3-5,8,12-13H,6-7H2,1-2H3
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PCBioAssay
n/an/an/an/a 5.71E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69225
PNG
(2-chloroethyl N-[1-(1H-indol-3-yl)propan-2-yl]carb...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NC(=O)OCCCl
Show InChI InChI=1S/C14H17ClN2O2/c1-10(17-14(18)19-7-6-15)8-11-9-16-13-5-3-2-4-12(11)13/h2-5,9-10,16H,6-8H2,1H3,(H,17,18)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69226
PNG
(MLS000766036 | N,N'-bis(2-pyridinyl)oxamide | N,N'...)
Show SMILES O=C(Nc1ccccn1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C12H10N4O2/c17-11(15-9-5-1-3-7-13-9)12(18)16-10-6-2-4-8-14-10/h1-8H,(H,13,15,17)(H,14,16,18)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69228
PNG
(MLS000707264 | SMR000288729 | [4-(2,4-dimethylphen...)
Show SMILES Cc1ccc(N2CCN(CC2)C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C17H25N3O2/c1-14-3-4-16(15(2)13-14)18-5-7-19(8-6-18)17(21)20-9-11-22-12-10-20/h3-4,13H,5-12H2,1-2H3
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69229
PNG
(2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-1,4,6,8-tet...)
Show SMILES CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccsc1)C(=O)OCC1CCCO1 |c:13,t:1|
Show InChI InChI=1S/C22H27NO4S/c1-13-18(21(25)27-11-15-5-4-7-26-15)19(14-6-8-28-12-14)20-16(23-13)9-22(2,3)10-17(20)24/h6,8,12,15,19-20H,4-5,7,9-11H2,1-3H3
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69230
PNG
(MLS000717128 | N-[[3-methoxy-4-(5-nitropyridin-2-y...)
Show SMILES COc1cc([CH+][N-]NC(=O)c2ccncc2)ccc1Oc1ccc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N5O5/c1-28-17-10-13(11-22-23-19(25)14-6-8-20-9-7-14)2-4-16(17)29-18-5-3-15(12-21-18)24(26)27/h2-12H,1H3,(H-,20,22,23,25)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM45640
PNG
(4-(dimethylamino)-N-(1,3-dioxo-2-isoindolyl)benzam...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H15N3O3/c1-19(2)12-9-7-11(8-10-12)15(21)18-20-16(22)13-5-3-4-6-14(13)17(20)23/h3-10H,1-2H3,(H,18,21)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69231
PNG
(2-(2-nitrophenoxy)-N-(4-pyridylmethyleneamino)acet...)
Show SMILES [O-][N+](=O)c1ccccc1OCC(=O)NN=Cc1ccncc1
Show InChI InChI=1S/C14H12N4O4/c19-14(17-16-9-11-5-7-15-8-6-11)10-22-13-4-2-1-3-12(13)18(20)21/h1-9H,10H2,(H,17,19)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
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