BDBM188500 3,4,7,7-Tetramethyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one (3)::US10137122, Compound 42
SMILES: CC1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2
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 |
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Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM188500 (3,4,7,7-Tetramethyl-2,4,6,7,8,9-hexahydro-5H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 537 | 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)) | BDBM188500 (3,4,7,7-Tetramethyl-2,4,6,7,8,9-hexahydro-5H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 401 | 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 beta (Homo sapiens (Human)) | BDBM188500 (3,4,7,7-Tetramethyl-2,4,6,7,8,9-hexahydro-5H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 2.30E+4 | 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)) | BDBM188500 (3,4,7,7-Tetramethyl-2,4,6,7,8,9-hexahydro-5H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | 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 | |||||||||||||
Glycogen synthase kinase-3 (Homo sapiens (Human)) | BDBM188500 (3,4,7,7-Tetramethyl-2,4,6,7,8,9-hexahydro-5H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | 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 |