BDBM173195 US10137122, Compound 3::US9096594, 3
SMILES: Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1)C(=O)CC(C)(C)C3
InChI Key:
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycogen synthase kinase-3 (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | 25 |
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent | Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G... | US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 232 | n/a | n/a | n/a | n/a | n/a | 25 |
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent | Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G... | US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Casein kinase I isoform delta (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 2.14E+4 | n/a | n/a | n/a | n/a | n/a | 25 |
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent | Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G... | US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Casein kinase I isoform alpha (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | 25 |
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent | Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G... | US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 2.19E+5 | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent | Assay Description Approximately 20,000 Response Units (RU) of anti GST-antibody (GE Healthcare Life Sciences) were immobilized on Flow Cell (FC) 1 and FC2 of a new, fr... | US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 468 | 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 (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 343 | 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 (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent | Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff... | US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent | Assay Description 20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ... | US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Casein kinase I isoform epsilon (Homo sapiens (Human)) | BDBM173195 (US10137122, Compound 3 | US9096594, 3) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | 25 |
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent | Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G... | US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K | |||||||||||
More data for this Ligand-Target Pair |