Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM375942'   

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))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description FLT3 is obtained from Invitrogen in 50 mM Tris (pH7.5); 100 mM NaCl; 0.05 mM EDTA, 0.05% NP-40, 2 mM DTT; 50% Glycerol # PV3182; Lot 286671; sequence...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description FLT3 is obtained from Invitrogen in 50 mM Tris (pH7.5); 100 mM NaCl; 0.05 mM EDTA, 0.05% NP-40, 2 mM DTT; 50% Glycerol # PV3182; Lot 286671; sequence...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description FLT3 is obtained from Invitrogen in 50 mM Tris (pH7.5); 100 mM NaCl; 0.05 mM EDTA, 0.05% NP-40, 2 mM DTT; 50% Glycerol # PV3182; Lot 286671; sequence...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair