Found 10 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50130725' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 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 GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay |
Bioorg Med Chem Lett 20: 1661-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.072 BindingDB Entry DOI: 10.7270/Q2TX3G9B |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00931 BindingDB Entry DOI: 10.7270/Q2CF9V25 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using GSM as substrate incubated for 30 mins by luminescence based assay |
ACS Med Chem Lett 10: 469-474 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00507 BindingDB Entry DOI: 10.7270/Q2HD805P |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113554 BindingDB Entry DOI: 10.7270/Q2W95F02 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti... |
Bioorg Med Chem Lett 20: 1693-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.038 BindingDB Entry DOI: 10.7270/Q2ZK5HNS |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Road
Curated by ChEMBL
| Assay Description Inhibition of human GSK3beta |
Eur J Med Chem 44: 2361-71 (2009)
Article DOI: 10.1016/j.ejmech.2008.08.012 BindingDB Entry DOI: 10.7270/Q2057FZX |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Marine Sciences (IFM-GEOMAR)
Curated by ChEMBL
| Assay Description Inhibition of GSK3-beta by luminescent assay |
J Nat Prod 74: 99-101 (2011)
Article DOI: 10.1021/np100633k BindingDB Entry DOI: 10.7270/Q2RR207X |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of recombinant GSK3-beta |
J Med Chem 51: 2062-77 (2008)
Article DOI: 10.1021/jm7009765 BindingDB Entry DOI: 10.7270/Q20Z744C |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Inhibitory activity against human glycogen synthase kinase-3beta (GSK3-beta) at 100 uM ATP |
J Med Chem 46: 3333-41 (2003)
Article DOI: 10.1021/jm021095d BindingDB Entry DOI: 10.7270/Q2F76D9B |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50130725
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6| 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| PCBioAssay
| n/a | n/a | n/a | n/a | 239 | n/a | n/a | n/a | n/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 | |