Found 2274 hits for UniProtKB: P49840 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8336
(N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-...)Show InChI InChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | -57.1 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
GlaxoSmithKline
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft... |
Bioorg Med Chem Lett 13: 1581-4 (2003)
Article DOI: 10.1016/s0960-894x(03)00135-5
BindingDB Entry DOI: 10.7270/Q2BK19JV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8337
(N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...)Show SMILES Fc1cccc(c1F)-c1cc2c(NC(=O)C3CCCC3)n[nH]c2nn1 Show InChI InChI=1S/C17H15F2N5O/c18-12-7-3-6-10(14(12)19)13-8-11-15(22-24-16(11)23-21-13)20-17(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,20,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | -56.3 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
GlaxoSmithKline
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft... |
Bioorg Med Chem Lett 13: 1581-4 (2003)
Article DOI: 10.1016/s0960-894x(03)00135-5
BindingDB Entry DOI: 10.7270/Q2BK19JV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8339
(N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...)Show SMILES CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)-c2cccc(F)c2F)CC1 Show InChI InChI=1S/C20H22F2N6O/c1-2-28-8-6-12(7-9-28)10-17(29)23-19-14-11-16(24-26-20(14)27-25-19)13-4-3-5-15(21)18(13)22/h3-5,11-12H,2,6-10H2,1H3,(H2,23,25,26,27,29) | PDB
MMDB
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KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.190 | -54.9 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
GlaxoSmithKline
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft... |
Bioorg Med Chem Lett 13: 1581-4 (2003)
Article DOI: 10.1016/s0960-894x(03)00135-5
BindingDB Entry DOI: 10.7270/Q2BK19JV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8338
(N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...)Show SMILES CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F Show InChI InChI=1S/C19H20F2N6O/c1-2-27-8-6-11(7-9-27)19(28)22-17-13-10-15(23-25-18(13)26-24-17)12-4-3-5-14(20)16(12)21/h3-5,10-11H,2,6-9H2,1H3,(H2,22,24,25,26,28) | PDB
MMDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | -51.0 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
GlaxoSmithKline
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft... |
Bioorg Med Chem Lett 13: 1581-4 (2003)
Article DOI: 10.1016/s0960-894x(03)00135-5
BindingDB Entry DOI: 10.7270/Q2BK19JV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8296
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25) | PDB
MMDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length recombinant human GSK-3alpha expressed in baculovirus infected insect Sf9 cells using GS-2 peptide as substrate... |
ACS Med Chem Lett 6: 548-52 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00044
BindingDB Entry DOI: 10.7270/Q2348N35 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8296
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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UniProtKB/TrEMBL
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 9.10 | -45.4 | 34.3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
SmithKline Beecham Pharmaceuticals Ltd
| Assay Description
In vitro kinase inhibition assay using purified GSK-3 alpha from insect cells, was incubated at room temperature with substrate, and test compounds i... |
Chem Biol 7: 793-803 (2000)
Article DOI: 10.1016/s1074-5521(00)00025-9
BindingDB Entry DOI: 10.7270/Q2M32T0X |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50563322
(CHEMBL4777349)Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H20ClN3O2/c22-16-13-23-12-15(18-11-14-3-1-2-4-17(14)27-18)19(16)25-9-6-21(7-10-25)5-8-24-20(21)26/h1-4,11-13H,5-10H2,(H,24,26) | PDB
MMDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description
Inhibition of human GSKalpha S449A mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of ... |
Eur J Med Chem 214: (2021)
|
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50402020
(CHEMBL2205426)Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28) | PDB
MMDB
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PC cid
PC sid
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Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GSK3A after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP |
Bioorg Med Chem Lett 22: 7615-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067514
(CHEMBL3401978)Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 Show InChI InChI=1S/C22H21F2N7O3/c23-12-5-13-14(7-26-18(13)25-6-12)19-27-8-16(24)20(29-19)28-17-11-3-1-10(2-4-11)15(17)9-31-21(32)30-22(33)34-31/h5-8,10-11,15,17H,1-4,9H2,(H,25,26)(H,27,28,29)(H,30,32,33)/t10?,11?,15-,17-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50162083
((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...)Show InChI InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23) | PDB
Reactome pathway
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CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Glycogen synthase kinase-3 |
J Med Chem 48: 1278-81 (2005)
Article DOI: 10.1021/jm0492249
BindingDB Entry DOI: 10.7270/Q2X92F1P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8297
(3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-nitrophen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)cc1Cl Show InChI InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23) | PDB
MMDB
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KEGG
PC cid
PC sid
UniChem
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| Article
PubMed
| 30.8 | -42.4 | 77.5 | n/a | n/a | n/a | n/a | 7.0 | 22 |
SmithKline Beecham Pharmaceuticals Ltd
| Assay Description
In vitro kinase inhibition assay using purified GSK-3 alpha from insect cells, was incubated at room temperature with substrate, and test compounds i... |
Chem Biol 7: 793-803 (2000)
Article DOI: 10.1016/s1074-5521(00)00025-9
BindingDB Entry DOI: 10.7270/Q2M32T0X |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
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UniProtKB/SwissProt
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GoogleScholar
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
ATP competitive inhibition of human GSK3alpha |
J Med Chem 62: 5547-5561 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00426 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50563323
(CHEMBL4791586)Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H20ClN3OS/c22-16-13-23-12-15(18-11-14-3-1-2-4-17(14)27-18)19(16)25-9-6-21(7-10-25)5-8-24-20(21)26/h1-4,11-13H,5-10H2,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
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| PC cid
PC sid
UniChem
| PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description
Inhibition of human GSKalpha S449A mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of ... |
Eur J Med Chem 214: (2021)
|
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067515
(CHEMBL3401979)Show SMILES Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C22H20F2N6O2/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(31)32-30-16/h5-11,18-19,31H,1-4H2,(H,25,26)(H,27,28,29)/t10?,11?,18-,19+/m1/s1 | PDB
Reactome pathway
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067537
(CHEMBL3401987)Show SMILES CC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C21H23F2N5O/c1-10(29)17-11-2-4-12(5-3-11)18(17)27-21-16(23)9-26-20(28-21)15-8-25-19-14(15)6-13(22)7-24-19/h6-12,17-18,29H,2-5H2,1H3,(H,24,25)(H,26,27,28)/t10?,11?,12?,17-,18-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067540
(CHEMBL3401990)Show SMILES CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C20H21F2N5O2S/c1-30(28,29)17-11-4-2-10(3-5-11)16(17)26-20-15(22)9-25-19(27-20)14-8-24-18-13(14)6-12(21)7-23-18/h6-11,16-17H,2-5H2,1H3,(H,23,24)(H,25,26,27)/t10?,11?,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067533
(CHEMBL3401984)Show SMILES OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C21H23F2N5O2/c22-12-5-13-14(7-25-19(13)24-6-12)20-26-8-15(23)21(28-20)27-18-11-3-1-10(2-4-11)17(18)16(30)9-29/h5-8,10-11,16-18,29-30H,1-4,9H2,(H,24,25)(H,26,27,28)/t10?,11?,16?,17-,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067531
(CHEMBL3401983)Show SMILES NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C19H20F2N6O2S/c20-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(21)19(27-18)26-15-9-1-3-10(4-2-9)16(15)30(22,28)29/h5-10,15-16H,1-4H2,(H,23,24)(H2,22,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
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antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50475257
(CHEMBL179420)Show InChI InChI=1S/C17H13N5/c1-2-6-12(7-3-1)16-19-14-9-5-4-8-13(14)17(21-16)20-15-10-11-18-22-15/h1-11H,(H2,18,19,20,21,22) | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Glycogen synthase kinase-3 |
J Med Chem 48: 1278-81 (2005)
Article DOI: 10.1021/jm0492249
BindingDB Entry DOI: 10.7270/Q2X92F1P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067513
(CHEMBL3401977)Show SMILES OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C21H24F2N5O3P/c22-13-7-15-16(9-25-19(15)24-8-13)20-26-10-17(23)21(28-20)27-18-12-3-1-11(2-4-12)14(18)5-6-32(29,30)31/h7-12,14,18H,1-6H2,(H,24,25)(H,26,27,28)(H2,29,30,31)/t11?,12?,14-,18-/m0/s1 | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50475255
(CHEMBL179341)Show InChI InChI=1S/C18H14N4S/c1-12-11-19-18(23-12)22-17-14-9-5-6-10-15(14)20-16(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,21,22) | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Glycogen synthase kinase-3 |
J Med Chem 48: 1278-81 (2005)
Article DOI: 10.1021/jm0492249
BindingDB Entry DOI: 10.7270/Q2X92F1P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067535
(CHEMBL3401986)Show SMILES CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C21H22F2N6O/c1-24-21(30)16-10-2-4-11(5-3-10)17(16)28-20-15(23)9-27-19(29-20)14-8-26-18-13(14)6-12(22)7-25-18/h6-11,16-17H,2-5H2,1H3,(H,24,30)(H,25,26)(H,27,28,29)/t10?,11?,16-,17-/m0/s1 | PDB
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50073190
(CHEMBL3408213)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30) | PDB
MMDB
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| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description
Inhibition of human GSKalpha S449A mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of ... |
Eur J Med Chem 214: (2021)
|
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50475254
(CHEMBL361127)Show InChI InChI=1S/C16H12N6/c1-2-6-11(7-3-1)14-19-13-9-5-4-8-12(13)15(20-14)21-16-17-10-18-22-16/h1-10H,(H2,17,18,19,20,21,22) | PDB
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Glycogen synthase kinase-3 |
J Med Chem 48: 1278-81 (2005)
Article DOI: 10.1021/jm0492249
BindingDB Entry DOI: 10.7270/Q2X92F1P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067517
(CHEMBL3401980)Show SMILES CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C21H22F2N6O3S/c1-10(30)29-33(31,32)18-12-4-2-11(3-5-12)17(18)27-21-16(23)9-26-20(28-21)15-8-25-19-14(15)6-13(22)7-24-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,24,25)(H,29,30)(H,26,27,28)/t11?,12?,17-,18-/m0/s1 | PDB
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| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50205472
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22) | PDB
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| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of GSKp1 |
Bioorg Med Chem Lett 17: 2134-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50224883
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29) | PDB
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| 911 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 alpha |
Bioorg Med Chem Lett 17: 6593-601 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067538
(CHEMBL3401988)Show SMILES Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C22H21F2N7O/c1-10-28-22(32-31-10)17-11-2-4-12(5-3-11)18(17)29-21-16(24)9-27-20(30-21)15-8-26-19-14(15)6-13(23)7-25-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,25,26)(H,27,29,30)/t11?,12?,17-,18-/m0/s1 | PDB
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| 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067539
(CHEMBL3401989)Show SMILES Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C22H21F2N7O/c1-10-30-31-22(32-10)17-11-2-4-12(5-3-11)18(17)28-21-16(24)9-27-20(29-21)15-8-26-19-14(15)6-13(23)7-25-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,25,26)(H,27,28,29)/t11?,12?,17-,18-/m0/s1 | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067534
(CHEMBL3401985)Show SMILES Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C22H21F2N7O/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(32)31-30-16/h5-11,18-19H,1-4H2,(H,25,26)(H,27,28,29)(H2,30,31,32)/t10?,11?,18-,19+/m1/s1 | PDB
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067518
(CHEMBL3401981)Show SMILES Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C22H20F2N6O2/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(31)30-32-16/h5-11,18-19H,1-4H2,(H,25,26)(H,30,31)(H,27,28,29)/t10?,11?,18-,19+/m1/s1 | PDB
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50050712
(CHEMBL3318007)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1 | PDB
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PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50205468
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17) | PDB
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of GSKp1 |
Bioorg Med Chem Lett 17: 2134-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50205477
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1 | PDB
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of GSKp1 |
Bioorg Med Chem Lett 17: 2134-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50033345
((5-Methyl-isoxazol-3-yl)-(2-phenyl-quinazolin-4-yl...)Show InChI InChI=1S/C18H14N4O/c1-12-11-16(22-23-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,21,22) | PDB
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Glycogen synthase kinase-3 |
J Med Chem 48: 1278-81 (2005)
Article DOI: 10.1021/jm0492249
BindingDB Entry DOI: 10.7270/Q2X92F1P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50475256
(CHEMBL176248)Show InChI InChI=1S/C19H16N4/c1-13-11-19(23-22-13)21-18-12-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)18/h2-12H,1H3,(H2,20,21,22,23) | PDB
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Glycogen synthase kinase-3 |
J Med Chem 48: 1278-81 (2005)
Article DOI: 10.1021/jm0492249
BindingDB Entry DOI: 10.7270/Q2X92F1P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067520
(CHEMBL3401982)Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1 | PDB
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| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067542
(CHEMBL3401976)Show SMILES OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 Show InChI InChI=1S/C19H20F2N5O3P/c20-11-5-12-13(7-23-17(12)22-6-11)18-24-8-14(21)19(26-18)25-15-9-1-3-10(4-2-9)16(15)30(27,28)29/h5-10,15-16H,1-4H2,(H,22,23)(H,24,25,26)(H2,27,28,29)/t9?,10?,15-,16-/m0/s1 | PDB
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| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50067541
(CHEMBL3401975)Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 Show InChI InChI=1S/C20H19F2N9/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20-28-30-31-29-20/h5-10,15-16H,1-4H2,(H,23,24)(H,25,26,27)(H,28,29,30,31)/t9?,10?,15-,16-/m0/s1 | PDB
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| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of GSK3 (unknown origin) |
Bioorg Med Chem Lett 25: 1990-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50277583
(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...)Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GSK3alpha |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50475253
(CHEMBL178264)Show InChI InChI=1S/C17H14N6/c1-11-18-17(23-22-11)21-16-13-9-5-6-10-14(13)19-15(20-16)12-7-3-2-4-8-12/h2-10H,1H3,(H2,18,19,20,21,22,23) | PDB
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| 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Glycogen synthase kinase-3 |
J Med Chem 48: 1278-81 (2005)
Article DOI: 10.1021/jm0492249
BindingDB Entry DOI: 10.7270/Q2X92F1P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50489125
(CHEMBL2297161)Show SMILES Cc1nc[nH]c1[C@H]1N(Cc2nc3ccccc3[nH]2)CCc2[nH]cnc12 Show InChI InChI=1S/C18H19N7/c1-11-16(21-9-19-11)18-17-14(20-10-22-17)6-7-25(18)8-15-23-12-4-2-3-5-13(12)24-15/h2-5,9-10,18H,6-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t18-/m1/s1 | PDB
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| <1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GSK3 (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-013-0547-y
BindingDB Entry DOI: 10.7270/Q2ZK5KKQ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50489128
(CHEMBL2297163)Show SMILES CC(C)N(Cc1cn2cccc(C)c2n1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C21H23N5O/c1-14(2)26(12-16-11-25-10-6-7-15(3)20(25)22-16)13-19-23-18-9-5-4-8-17(18)21(27)24-19/h4-11,14H,12-13H2,1-3H3,(H,23,24,27) | PDB
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| <1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GSK3 (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-013-0547-y
BindingDB Entry DOI: 10.7270/Q2ZK5KKQ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50489131
(CHEMBL2297162)Show SMILES Cc1nc[nH]c1[C@@H]1N(Cc2nc3ccccc3[nH]2)CCc2[nH]cnc12 Show InChI InChI=1S/C18H19N7/c1-11-16(21-9-19-11)18-17-14(20-10-22-17)6-7-25(18)8-15-23-12-4-2-3-5-13(12)24-15/h2-5,9-10,18H,6-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t18-/m0/s1 | PDB
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| <1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GSK3 (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-013-0547-y
BindingDB Entry DOI: 10.7270/Q2ZK5KKQ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM118096
(US8664219, I-16 | US8664219, I-8)Show InChI InChI=1S/C18H21FN6/c1-11-8-15(22-16(21-11)12-6-4-2-3-5-7-12)23-18-14-9-13(19)10-20-17(14)24-25-18/h8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24,25) | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
US Patent
| Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell... |
US Patent US8664219 (2014)
BindingDB Entry DOI: 10.7270/Q24748J8 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM188514
(4,7,7-trimethyl-4-phenyl-3-(trifluoromethyl)-2,4,6...)Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1[C@]2(C)c1ccccc1)C(F)(F)F | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Harvard Medical School
| Assay Description
Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)... |
ACS Chem Biol 11: 1952-63 (2016)
Article DOI: 10.1021/acschembio.6b00306
BindingDB Entry DOI: 10.7270/Q20000W8 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM118098
(US8664219, I-10)Show InChI InChI=1S/C17H19FN6/c1-10-7-14(21-15(20-10)11-5-3-2-4-6-11)22-17-13-8-12(18)9-19-16(13)23-24-17/h7-9,11H,2-6H2,1H3,(H2,19,20,21,22,23,24) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
US Patent
| Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell... |
US Patent US8664219 (2014)
BindingDB Entry DOI: 10.7270/Q24748J8 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM122537
(US8735593, I-5)Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(-c2ccccc2)c1C Show InChI InChI=1S/C19H16FN5/c1-11-8-16(22-17(12(11)2)13-6-4-3-5-7-13)23-19-15-9-14(20)10-21-18(15)24-25-19/h3-10H,1-2H3,(H2,21,22,23,24,25) | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Vertex Pharmaceuticals Inc
US Patent
| Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ... |
US Patent US8735593 (2014)
BindingDB Entry DOI: 10.7270/Q2H130PQ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50313013
(CHEMBL1080901 | CT-98024 | N2-(2-(4-(2,4-dichlorop...)Show SMILES Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O Show InChI InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30) | PDB
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| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
The Rockefeller University
Curated by ChEMBL
| Assay Description
Inhibition of GSK3alpha |
Trends Pharmacol Sci 25: 471-80 (2004)
Article DOI: 10.1016/j.tips.2004.07.006
BindingDB Entry DOI: 10.7270/Q2VX0HG5 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM118093
(US8664219, I-3)Show InChI InChI=1S/C18H21FN6/c1-10-11(2)21-16(12-6-4-3-5-7-12)22-15(10)23-18-14-8-13(19)9-20-17(14)24-25-18/h8-9,12H,3-7H2,1-2H3,(H2,20,21,22,23,24,25) | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
US Patent
| Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell... |
US Patent US8664219 (2014)
BindingDB Entry DOI: 10.7270/Q24748J8 |
More data for this
Ligand-Target Pair | |
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