Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM173195'   

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))	BDBM173195 (US10137122, Compound 3 | US9096594, 3) Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1)C(=O)CC(C)(C)C3 |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM173195 (US10137122, Compound 3 | US9096594, 3) Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1)C(=O)CC(C)(C)C3 |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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 beta (Homo sapiens (Human))	BDBM173195 (US10137122, Compound 3 | US9096594, 3) Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1)C(=O)CC(C)(C)C3 |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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))	BDBM173195 (US10137122, Compound 3 | US9096594, 3) Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1)C(=O)CC(C)(C)C3 |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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