BDBM188498 3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one (1)::US10137122, Compound 4
SMILES: Cc1[nH]nc2NC3=C(C(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 beta (Homo sapiens (Human)) | BDBM188498 (3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...) | 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 | 201 | 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)) | BDBM188498 (3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...) | 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 | 236 | 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)) | BDBM188498 (3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...) | 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)) | BDBM188498 (3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...) | 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 | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM188498 (3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...) | 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 | 550 | 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 | |||||||||||||
Casein kinase I isoform delta (Homo sapiens (Human)) | BDBM188498 (3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | >1.00E+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 | US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 (Homo sapiens (Human)) | BDBM188498 (3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...) | 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 | <100 | 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)) | BDBM188498 (3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...) | 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 |