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PubChem AID 434954

Compile Data Set for Download or QSAR

Found 2198 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68345
PNG
(4-(3-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-3-...)
Show SMILES COc1cc(ccc1O)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)N1CCCCC1
Show InChI InChI=1S/C25H32N2O4/c1-15-21(24(30)27-10-6-5-7-11-27)22(16-8-9-18(28)20(12-16)31-4)23-17(26-15)13-25(2,3)14-19(23)29/h8-9,12,22-23,28H,5-7,10-11,13-14H2,1-4H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68347
PNG
(2-(ethylthio)-5-(2-thienyl)-1,3,4-oxadiazole | 2-(...)
Show SMILES CCSc1nnc(o1)-c1cccs1
Show InChI InChI=1S/C8H8N2OS2/c1-2-12-8-10-9-7(11-8)6-4-3-5-13-6/h3-5H,2H2,1H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68355
PNG
(2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ace...)
Show SMILES OC(=O)CNCC1COc2ccccc2O1
Show InChI InChI=1S/C11H13NO4/c13-11(14)6-12-5-8-7-15-9-3-1-2-4-10(9)16-8/h1-4,8,12H,5-7H2,(H,13,14)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68363
PNG
(1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl...)
Show SMILES CN(Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)Cc1ccccc1
Show InChI InChI=1S/C16H19N5O2/c1-19(9-11-7-5-4-6-8-11)10-12-17-13-14(18-12)20(2)16(23)21(3)15(13)22/h4-8H,9-10H2,1-3H3,(H,17,18)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM38798
PNG
(3-piperidin-1-ylpropyl 4-hydroxybenzoate | 3-piper...)
Show SMILES Oc1ccc(cc1)C(=O)OCCCN1CCCCC1
Show InChI InChI=1S/C15H21NO3/c17-14-7-5-13(6-8-14)15(18)19-12-4-11-16-9-2-1-3-10-16/h5-8,17H,1-4,9-12H2
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68385
PNG
(2-(4,5-Dihydro-thiazol-2-ylsulfanyl)-N-(6-methoxy-...)
Show SMILES COc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1
Show InChI InChI=1S/C13H13N3O2S3/c1-18-8-2-3-9-10(6-8)21-12(15-9)16-11(17)7-20-13-14-4-5-19-13/h2-3,6H,4-5,7H2,1H3,(H,15,16,17)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68393
PNG
(2-amino-1-cyano-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a...)
Show SMILES COC(=O)c1c(N)c(C#N)c2CCCCCn12
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)11-10(14)8(7-13)9-5-3-2-4-6-15(9)11/h2-6,14H2,1H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68406
PNG
(4-[3-[4-(2-furoyl)piperazino]-2,5-diketo-pyrrolidi...)
Show SMILES COC(=O)c1ccc(cc1)-n1c(O)cc(N2CCN(CC2)C(=O)c2ccco2)c1O
Show InChI InChI=1S/C21H21N3O6/c1-29-21(28)14-4-6-15(7-5-14)24-18(25)13-16(19(24)26)22-8-10-23(11-9-22)20(27)17-3-2-12-30-17/h2-7,12-13,25-26H,8-11H2,1H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68416
PNG
((5E)-1-(4-fluorobenzyl)-5-[(2-piperidinoethylamino...)
Show SMILES Fc1ccc(CN2C(=O)NC(=O)C(=CNCCN3CCCCC3)C2=O)cc1
Show InChI InChI=1S/C19H23FN4O3/c20-15-6-4-14(5-7-15)13-24-18(26)16(17(25)22-19(24)27)12-21-8-11-23-9-2-1-3-10-23/h4-7,12,21H,1-3,8-11,13H2,(H,22,25,27)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68417
PNG
(MLS000081455 | N-(1-butyl-3-pyrazolo[3,4-b]quinoli...)
Show SMILES CCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc12
Show InChI InChI=1S/C19H18N4OS/c1-2-3-10-23-18-14(12-13-7-4-5-8-15(13)20-18)17(22-23)21-19(24)16-9-6-11-25-16/h4-9,11-12H,2-3,10H2,1H3,(H,21,22,24)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68423
PNG
(5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-3-...)
Show SMILES CCOc1cc(ccc1O)C1N(C(=O)c2n[nH]c(C)c12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H18BrN3O3/c1-3-27-16-10-12(4-9-15(16)25)19-17-11(2)22-23-18(17)20(26)24(19)14-7-5-13(21)6-8-14/h4-10,19,25H,3H2,1-2H3,(H,22,23)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM53678
PNG
(4-butyl-7-methyl-5-(2H-1,2,3,4-tetrazol-5-ylmethox...)
Show SMILES CCCCc1cc(=O)oc2cc(C)cc(OCc3nnn[nH]3)c12
Show InChI InChI=1S/C16H18N4O3/c1-3-4-5-11-8-15(21)23-13-7-10(2)6-12(16(11)13)22-9-14-17-19-20-18-14/h6-8H,3-5,9H2,1-2H3,(H,17,18,19,20)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68441
PNG
(MLS000084334 | SMR000048547 | cid_667200)
Show SMILES Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccccc1
Show InChI InChI=1S/C21H21N5O2/c1-11-22-20-24-19(28)17-15(12-7-5-4-6-8-12)16-13(23-18(17)26(20)25-11)9-21(2,3)10-14(16)27/h4-8,15,23H,9-10H2,1-3H3,(H,22,24,25,28)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68456
PNG
(3-(benzylthio)-4-ethyl-5-(2-thienyl)-1,2,4-triazol...)
Show SMILES CCn1c(SCc2ccccc2)nnc1-c1cccs1
Show InChI InChI=1S/C15H15N3S2/c1-2-18-14(13-9-6-10-19-13)16-17-15(18)20-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68461
PNG
(3-amino-2-(2-thienyl)-5,6,7,8-tetrahydrobenzothiop...)
Show SMILES Nn1c(nc2sc3CCCCc3c2c1=O)-c1cccs1
Show InChI InChI=1S/C14H13N3OS2/c15-17-12(10-6-3-7-19-10)16-13-11(14(17)18)8-4-1-2-5-9(8)20-13/h3,6-7H,1-2,4-5,15H2
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68468
PNG
(4-(4-methoxyphenyl)-3,7,7-trimethyl-2,4,6,8-tetrah...)
Show SMILES COc1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2n[nH]c(C)c12
Show InChI InChI=1S/C20H23N3O2/c1-11-16-17(12-5-7-13(25-4)8-6-12)18-14(21-19(16)23-22-11)9-20(2,3)10-15(18)24/h5-8,17-18H,9-10H2,1-4H3,(H,22,23)
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n/an/an/an/a 2.83E+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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68469
PNG
(MLS000054003 | N-(5-chloranylpyridin-2-yl)-2-[(4-m...)
Show SMILES Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
Show InChI InChI=1S/C11H10ClN3OS2/c1-7-5-17-11(14-7)18-6-10(16)15-9-3-2-8(12)4-13-9/h2-5H,6H2,1H3,(H,13,15,16)
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n/an/an/an/a 1.94E+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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM41389
PNG
(3-(morpholin-4-ylcarbonyl)-4,5-dihydronaphtho[2,1-...)
Show SMILES O=C(N1CCOCC1)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C16H16N2O3/c19-16(18-7-9-20-10-8-18)14-13-6-5-11-3-1-2-4-12(11)15(13)21-17-14/h1-4H,5-10H2
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68484
PNG
(7-(2-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]tri...)
Show SMILES CCOC(=O)C1C(c2ccccc2F)n2ncnc2N=C1C
Show InChI InChI=1S/C15H15FN4O2/c1-3-22-14(21)12-9(2)19-15-17-8-18-20(15)13(12)10-6-4-5-7-11(10)16/h4-8,12-13H,3H2,1-2H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM44648
PNG
(2-[[2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C20H22N4O4S/c1-12(2)9-15(19(27)28-3)22-16(25)11-29-20-23-17(13-7-5-4-6-8-13)14(10-21)18(26)24-20/h4-8,12,15H,9,11H2,1-3H3,(H,22,25)(H,23,24,26)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68502
PNG
(2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1
Show InChI InChI=1S/C15H13FN4O2S/c1-9(15(21)22-2)23-13-8-7-12-17-18-14(20(12)19-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3
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n/an/an/an/a 1.19E+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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68505
PNG
(4-[(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)amino]p...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1cc2sccc2n1CC
Show InChI InChI=1S/C17H23N3O3S/c1-3-20-13-7-10-24-15(13)11-14(20)16(21)18-12-5-8-19(9-6-12)17(22)23-4-2/h7,10-12H,3-6,8-9H2,1-2H3,(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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68515
PNG
(2-(4-pyridyl)-2,3,5,6,7,8-hexahydro-1H-benzothioph...)
Show SMILES O=C1NC(Nc2sc3CCCCc3c12)c1ccncc1
Show InChI InChI=1S/C15H15N3OS/c19-14-12-10-3-1-2-4-11(10)20-15(12)18-13(17-14)9-5-7-16-8-6-9/h5-8,13,18H,1-4H2,(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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68519
PNG
(1-[2-(3-methoxyanilino)-2-oxoethyl]triazole-4,5-di...)
Show SMILES CCOC(=O)c1nnn(CC(=O)Nc2cccc(OC)c2)c1C(=O)OCC
Show InChI InChI=1S/C17H20N4O6/c1-4-26-16(23)14-15(17(24)27-5-2)21(20-19-14)10-13(22)18-11-7-6-8-12(9-11)25-3/h6-9H,4-5,10H2,1-3H3,(H,18,22)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68520
PNG
(2-methyl-N-[1-(4-phenyl-1-piperazinyl)-1-thiophen-...)
Show SMILES CC(C)C(=O)NC(C)C(N1CCN(CC1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C21H29N3OS/c1-16(2)21(25)22-17(3)20(19-10-7-15-26-19)24-13-11-23(12-14-24)18-8-5-4-6-9-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,22,25)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM48576
PNG
(2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES CCOC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1
Show InChI InChI=1S/C16H15FN4O2S/c1-3-23-16(22)10(2)24-14-9-8-13-18-19-15(21(13)20-14)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3
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n/an/an/an/a 1.93E+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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68526
PNG
(2,2'-bipyridine-3,3'-dicarboxylic acid | 2...)
Show SMILES OC(=O)c1cccnc1-c1ncccc1C(O)=O
Show InChI InChI=1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM6659
PNG
(1-phenyl-3-pyridin-2-ylurea | Diarylurea deriv. 14...)
Show SMILES O=C(Nc1ccccc1)Nc1ccccn1
Show InChI InChI=1S/C12H11N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68532
PNG
(3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole | 3-...)
Show SMILES CS(=O)(=O)c1nncn1-c1ccccc1
Show InChI InChI=1S/C9H9N3O2S/c1-15(13,14)9-11-10-7-12(9)8-5-3-2-4-6-8/h2-7H,1H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68550
PNG
(1-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)pyrimi...)
Show SMILES CSc1nc(C)cc(n1)-n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C10H10N4O2S/c1-6-5-7(12-9(11-6)17-2)14-4-3-8(15)13-10(14)16/h3-5H,1-2H3,(H,13,15,16)
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n/an/an/an/a 2.58E+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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM35422
PNG
(1-(4-amino-2-anilino-1,3-thiazol-5-yl)-2,2-dimethy...)
Show SMILES CC(C)(C)C(=O)c1sc(Nc2ccccc2)nc1N
Show InChI InChI=1S/C14H17N3OS/c1-14(2,3)11(18)10-12(15)17-13(19-10)16-9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)
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n/an/an/an/a 1.00E+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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68565
PNG
(5-methyl-4-(2-methyl-1-piperidinyl)-6-thieno[2,3-d...)
Show SMILES CC1CCCCN1c1ncnc2sc(C(O)=O)c(C)c12
Show InChI InChI=1S/C14H17N3O2S/c1-8-5-3-4-6-17(8)12-10-9(2)11(14(18)19)20-13(10)16-7-15-12/h7-8H,3-6H2,1-2H3,(H,18,19)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68566
PNG
(5-[[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]meth...)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)o1
Show InChI InChI=1S/C14H11N3O4S/c1-19-13(18)11-3-2-10(20-11)8-22-14-17-16-12(21-14)9-4-6-15-7-5-9/h2-7H,8H2,1H3
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n/an/an/an/a 1.25E+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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68577
PNG
(3-[3-(1-hydroxyethyl)anilino]-5,5-dimethyl-1-cyclo...)
Show SMILES CC(O)c1cccc(NC2=CC(=O)CC(C)(C)C2)c1
Show InChI InChI=1S/C16H21NO2/c1-11(18)12-5-4-6-13(7-12)17-14-8-15(19)10-16(2,3)9-14/h4-8,11,17-18H,9-10H2,1-3H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68587
PNG
(3-(4-ethylpiperazin-1-yl)carbonyl-5-[(4-fluorophen...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C27H26FN3O3S/c1-2-29-13-15-30(16-14-29)26(32)20-9-12-25-23(17-20)31(18-19-7-10-21(28)11-8-19)27(33)22-5-3-4-6-24(22)35(25)34/h3-12,17H,2,13-16,18H2,1H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM62789
PNG
(3-[1-(4-Methoxy-phenyl)-ethyl]-4-oxo-10-oxa-3-aza-...)
Show SMILES COc1ccc(cc1)C(C)N1CC23OC(C=C2)C(C3C1=O)C(O)=O
Show InChI InChI=1S/C18H19NO5/c1-10(11-3-5-12(23-2)6-4-11)19-9-18-8-7-13(24-18)14(17(21)22)15(18)16(19)20/h3-8,10,13-15H,9H2,1-2H3,(H,21,22)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68593
PNG
(2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dime...)
Show SMILES COc1ccc(CCNC(=O)CN2CCOc3ccccc23)cc1OC
Show InChI InChI=1S/C20H24N2O4/c1-24-18-8-7-15(13-19(18)25-2)9-10-21-20(23)14-22-11-12-26-17-6-4-3-5-16(17)22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68596
PNG
(7-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,5,6,7-tet...)
Show SMILES COc1cccc(c1)C1CC(c2ccc(Cl)cc2)n2nc(N)nc2N1
Show InChI InChI=1S/C18H18ClN5O/c1-25-14-4-2-3-12(9-14)15-10-16(11-5-7-13(19)8-6-11)24-18(21-15)22-17(20)23-24/h2-9,15-16H,10H2,1H3,(H3,20,21,22,23)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68598
PNG
(MLS000116375 | N-(5-bromanyl-2-oxidanyl-phenyl)-5-...)
Show SMILES CCCc1cc(no1)C(=O)Nc1cc(Br)ccc1O
Show InChI InChI=1S/C13H13BrN2O3/c1-2-3-9-7-11(16-19-9)13(18)15-10-6-8(14)4-5-12(10)17/h4-7,17H,2-3H2,1H3,(H,15,18)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68603
PNG
(MLS000119615 | N-[3-(4-ethyl-1-piperazinyl)propyl]...)
Show SMILES CCN1CCN(CCCNC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H28N4O2S/c1-2-26-12-14-27(15-13-26)11-5-10-24-22(28)17-8-9-21-19(16-17)25-23(29)18-6-3-4-7-20(18)30-21/h3-4,6-9,16H,2,5,10-15H2,1H3,(H,24,28)(H,25,29)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68611
PNG
(3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic ...)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C17H14N2O3/c1-22-14-9-7-12(8-10-14)16-15(17(20)21)11-19(18-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM37210
PNG
(6-(4-methoxyphenyl)-3-methyl-N-(4-pyridyl)imidazo[...)
Show SMILES COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C19H16N4O2S/c1-12-17(18(24)21-14-7-9-20-10-8-14)26-19-22-16(11-23(12)19)13-3-5-15(25-2)6-4-13/h3-11H,1-2H3,(H,20,21,24)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68619
PNG
(3-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES CC(=O)C(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(C)=O
Show InChI InChI=1S/C16H13FN4O2S/c1-9(22)15(10(2)23)24-14-8-7-13-18-19-16(21(13)20-14)11-3-5-12(17)6-4-11/h3-8,15H,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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68636
PNG
(MLS000110763 | SMR000106692 | [3-(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)-c1nn(cc1CO)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c1-22-16-9-8-13(10-17(16)23-2)18-14(12-21)11-20(19-18)15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68639
PNG
(2-(1,3-dioxo-2-isoindolyl)-N-(2-fluorophenyl)aceta...)
Show SMILES Fc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H11FN2O3/c17-12-7-3-4-8-13(12)18-14(20)9-19-15(21)10-5-1-2-6-11(10)16(19)22/h1-8H,9H2,(H,18,20)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM56283
PNG
(2-hydroxy-2-(trifluoromethyl)-3H-benzo[h][1]benzop...)
Show SMILES OC1(CC(=O)c2ccc3ccccc3c2O1)C(F)(F)F
Show InChI InChI=1S/C14H9F3O3/c15-14(16,17)13(19)7-11(18)10-6-5-8-3-1-2-4-9(8)12(10)20-13/h1-6,19H,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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68654
PNG
(3-(2-fluoroanilino)-5,5-dimethyl-1-cyclohex-2-enon...)
Show SMILES CC1(C)CC(=O)C=C(C1)Nc1ccccc1F
Show InChI InChI=1S/C14H16FNO/c1-14(2)8-10(7-11(17)9-14)16-13-6-4-3-5-12(13)15/h3-7,16H,8-9H2,1-2H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68657
PNG
(2-cyclohexyl-3-(hexylamino)-3-keto-propionic acid ...)
Show SMILES CCCCCCNC(=O)C(C1CCCCC1)C(=O)OCC
Show InChI InChI=1S/C17H31NO3/c1-3-5-6-10-13-18-16(19)15(17(20)21-4-2)14-11-8-7-9-12-14/h14-15H,3-13H2,1-2H3,(H,18,19)
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68659
PNG
(4-hydroxybenzoic acid [2-(diethylamino)-2-keto-eth...)
Show SMILES CCN(CC)C(=O)COC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H17NO4/c1-3-14(4-2)12(16)9-18-13(17)10-5-7-11(15)8-6-10/h5-8,15H,3-4,9H2,1-2H3
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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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM40997
PNG
((2E)-2-cyano-2-(3,4-dihydro-1H-quinolin-2-ylidene)...)
Show SMILES CN(C)C=NC(=O)C(C#N)C1=Nc2ccccc2CC1
Show InChI InChI=1S/C15H16N4O/c1-19(2)10-17-15(20)12(9-16)14-8-7-11-5-3-4-6-13(11)18-14/h3-6,10,12H,7-8H2,1-2H3
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n/an/an/an/a 2.01E+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
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* indicates data uncertainty>20%