Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'gallier' and Initial = 'f'   

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))	BDBM50267760 (3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-i...) Show SMILES COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15| Show InChI InChI=1S/C23H18N2O4/c1-25-10-16(15-8-5-6-13(11-28-2)21(15)25)19-20(23(27)24-22(19)26)17-12-29-18-9-4-3-7-14(17)18/h3-10,12H,11H2,1-2H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267461 (3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxyme...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)ccc12 |t:4| Show InChI InChI=1S/C22H15FN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CHK1				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267607 (3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(6-hydroxymet...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C22H15BrN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of AKT3				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267800 (3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-methoxymet...) Show SMILES COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2cc(CO)ccc12 |t:15| Show InChI InChI=1S/C24H20N2O5/c1-26-9-17(16-5-3-4-14(11-30-2)22(16)26)20-21(24(29)25-23(20)28)18-12-31-19-8-13(10-27)6-7-15(18)19/h3-9,12,27H,10-11H2,1-2H3,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267523 (3-(6-Chloro-5-fluoro-1-methyl-1H-indol-3-yl)-4-(6-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4| Show InChI InChI=1S/C22H14ClFN2O4/c1-26-7-13(12-5-16(24)15(23)6-17(12)26)19-20(22(29)25-21(19)28)14-9-30-18-4-10(8-27)2-3-11(14)18/h2-7,9,27H,8H2,1H3,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267802 (3-[3-(4-Benzofuran-3-yl-2,5-dioxo-2,5-dihydro-1H-p...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CCC(O)=O)c12 |t:4| Show InChI InChI=1S/C24H18N2O5/c1-26-11-16(15-7-4-5-13(22(15)26)9-10-19(27)28)20-21(24(30)25-23(20)29)17-12-31-18-8-3-2-6-14(17)18/h2-8,11-12H,9-10H2,1H3,(H,27,28)(H,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T1				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267520 (3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxybe...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(O)ccc23)c2cc(F)ccc12 |t:4| Show InChI InChI=1S/C21H13FN2O4/c1-24-8-14(13-6-10(22)2-5-16(13)24)18-19(21(27)23-20(18)26)15-9-28-17-7-11(25)3-4-12(15)17/h2-9,25H,1H3,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK5/P35				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK5/P25 (unknown origin)				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267759 (3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-hydroxymet...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cccc(CO)c12 |t:4| Show InChI InChI=1S/C23H18N2O5/c1-25-8-16(15-4-2-3-13(10-27)21(15)25)19-20(23(29)24-22(19)28)17-11-30-18-7-12(9-26)5-6-14(17)18/h2-8,11,26-27H,9-10H2,1H3,(H,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267758 (3-Benzofuran-3-yl-4-(7-hydroxymethyl-1-methyl-1H-i...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CO)c12 |t:4| Show InChI InChI=1S/C22H16N2O4/c1-24-9-15(14-7-4-5-12(10-25)20(14)24)18-19(22(27)23-21(18)26)16-11-28-17-8-3-2-6-13(16)17/h2-9,11,25H,10H2,1H3,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK3/Cyclin E				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267605 (3-(benzofuran-3-yl)-4-(5-bromo-1-methyl-1H-indol-3...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C21H13BrN2O3/c1-24-9-14(13-8-11(22)6-7-16(13)24)18-19(21(26)23-20(18)25)15-10-27-17-5-3-2-4-12(15)17/h2-10H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267606 (3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(7-methoxyben...) Show SMILES COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(Br)cc12 |t:13| Show InChI InChI=1S/C22H15BrN2O4/c1-25-9-14(13-8-11(23)6-7-16(13)25)18-19(22(27)24-21(18)26)15-10-29-20-12(15)4-3-5-17(20)28-2/h3-10H,1-2H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267801 (3-[3-(4-Benzofuran-3-yl-2,5-dioxo-2,5-dihydro-1H-p...) Show SMILES CCOC(=O)CCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:19| Show InChI InChI=1S/C26H22N2O5/c1-3-32-21(29)12-11-15-7-6-9-17-18(13-28(2)24(15)17)22-23(26(31)27-25(22)30)19-14-33-20-10-5-4-8-16(19)20/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267678 (3-[4-(6-Hydroxymethylbenzofuran-3-yl)-2,5-dioxo-2,...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(ccc12)C#N |t:4| Show InChI InChI=1S/C23H15N3O4/c1-26-9-16(15-6-12(8-24)3-5-18(15)26)20-21(23(29)25-22(20)28)17-11-30-19-7-13(10-27)2-4-14(17)19/h2-7,9,11,27H,10H2,1H3,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267367 (3-(benzofuran-3-yl)-4-(6-hydroxy-1-methyl-1H-indol...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccc(O)cc12 |t:4| Show InChI InChI=1S/C21H14N2O4/c1-23-9-14(12-7-6-11(24)8-16(12)23)18-19(21(26)22-20(18)25)15-10-27-17-5-3-2-4-13(15)17/h2-10,24H,1H3,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267715 (3-(5-Cyclopropylethynyl-1-methyl-1H-indol-3-yl)-4-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(ccc12)C#CC1CC1 |t:4| Show InChI InChI=1S/C26H17FN2O3/c1-29-12-19(17-10-15(6-8-21(17)29)5-4-14-2-3-14)23-24(26(31)28-25(23)30)20-13-32-22-9-7-16(27)11-18(20)22/h6-14H,2-3H2,1H3,(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267462 (3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-methoxyme...) Show SMILES COCc1ccc2c(coc2c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(F)cc12 |t:14| Show InChI InChI=1S/C23H17FN2O4/c1-26-9-16(15-8-13(24)4-6-18(15)26)20-21(23(28)25-22(20)27)17-11-30-19-7-12(10-29-2)3-5-14(17)19/h3-9,11H,10H2,1-2H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267639 (3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(6-prop-2-yny...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(OCC#C)ccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C24H15BrN2O4/c1-3-8-30-14-5-6-15-18(12-31-20(15)10-14)22-21(23(28)26-24(22)29)17-11-27(2)19-7-4-13(25)9-16(17)19/h1,4-7,9-12H,8H2,2H3,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50267759 (3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-hydroxymet...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cccc(CO)c12 |t:4| Show InChI InChI=1S/C23H18N2O5/c1-25-8-16(15-4-2-3-13(10-27)21(15)25)19-20(23(29)24-22(19)28)17-11-30-18-7-12(9-26)5-6-14(17)18/h2-8,11,26-27H,9-10H2,1H3,(H,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM2600 ((Arylindolyl)maleimide deriv. 22 | 3-(1-benzofuran...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H14N2O3/c1-23-10-14(12-6-2-4-8-16(12)23)18-19(21(25)22-20(18)24)15-11-26-17-9-5-3-7-13(15)17/h2-11H,1H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267676 (3-Benzofuran-3-yl-4-(5-iodo-1-methyl-1H-indol-3-yl...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(I)ccc12 |t:4| Show InChI InChI=1S/C21H13IN2O3/c1-24-9-14(13-8-11(22)6-7-16(13)24)18-19(21(26)23-20(18)25)15-10-27-17-5-3-2-4-12(15)17/h2-10H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267642 (3-(5-chloro-1-methyl-1H-indol-3-yl)-4-(5-fluoroben...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(Cl)ccc12 |t:4| Show InChI InChI=1S/C21H12ClFN2O3/c1-25-8-14(12-6-10(22)2-4-16(12)25)18-19(21(27)24-20(18)26)15-9-28-17-5-3-11(23)7-13(15)17/h2-9H,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50229962 (1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...) Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267640 (3-(6-Allyloxybenzofuran-3-yl)-4-(5-bromo-1-methyl-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(OCC=C)ccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C24H17BrN2O4/c1-3-8-30-14-5-6-15-18(12-31-20(15)10-14)22-21(23(28)26-24(22)29)17-11-27(2)19-7-4-13(25)9-16(17)19/h3-7,9-12H,1,8H2,2H3,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8296 (3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267803 (3-(benzofuran-3-yl)-4-(7-hydroxy-1-methyl-1H-indol...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(O)c12 |t:4| Show InChI InChI=1S/C21H14N2O4/c1-23-9-13(12-6-4-7-15(24)19(12)23)17-18(21(26)22-20(17)25)14-10-27-16-8-3-2-5-11(14)16/h2-10,24H,1H3,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267675 (3-(5,7-Dibromo-1-methyl-1H-indol-3-yl)-4-(7-methox...) Show SMILES COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2c(Br)cc(Br)cc12 |t:13| Show InChI InChI=1S/C22H14Br2N2O4/c1-26-8-13(12-6-10(23)7-15(24)19(12)26)17-18(22(28)25-21(17)27)14-9-30-20-11(14)4-3-5-16(20)29-2/h3-9H,1-2H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK6/cyclin D3				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50267758 (3-Benzofuran-3-yl-4-(7-hydroxymethyl-1-methyl-1H-i...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CO)c12 |t:4| Show InChI InChI=1S/C22H16N2O4/c1-24-9-15(14-7-4-5-12(10-25)20(14)24)18-19(22(27)23-21(18)26)16-11-28-17-8-3-2-6-13(16)17/h2-9,11,25H,10H2,1H3,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267677 (3-(5-Fluorobenzofuran-3-yl)-4-(5-iodo-1-methyl-1H-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(I)ccc12 |t:4| Show InChI InChI=1S/C21H12FIN2O3/c1-25-8-14(12-7-11(23)3-4-16(12)25)18-19(21(27)24-20(18)26)15-9-28-17-5-2-10(22)6-13(15)17/h2-9H,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267522 (3-Benzofuran-3-yl-4-(6-chloro-5-fluoro-1-methyl-1H...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)c(Cl)cc12 |t:4| Show InChI InChI=1S/C21H12ClFN2O3/c1-25-8-12(11-6-15(23)14(22)7-16(11)25)18-19(21(27)24-20(18)26)13-9-28-17-5-3-2-4-10(13)17/h2-9H,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267718 (3-Benzofuran-3-yl-4-(6-iodo-5-methoxy-1-methyl-1H-...) Show SMILES COc1cc2c(cn(C)c2cc1I)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15| Show InChI InChI=1S/C22H15IN2O4/c1-25-9-13(12-7-18(28-2)15(23)8-16(12)25)19-20(22(27)24-21(19)26)14-10-29-17-6-4-3-5-11(14)17/h3-10H,1-2H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of IKKalpha				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267679 (3-(benzofuran-3-yl)-4-(5-cyclopropyl-1-methyl-1H-i...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(ccc12)C1CC1 |t:4| Show InChI InChI=1S/C24H18N2O3/c1-26-11-17(16-10-14(13-6-7-13)8-9-19(16)26)21-22(24(28)25-23(21)27)18-12-29-20-5-3-2-4-15(18)20/h2-5,8-13H,6-7H2,1H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50267461 (3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxyme...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)ccc12 |t:4| Show InChI InChI=1S/C22H15FN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267521 (3-(5-Fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-me...) Show SMILES COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(I)c(F)cc12 |t:13| Show InChI InChI=1S/C22H14FIN2O4/c1-26-8-12(11-6-14(23)15(24)7-16(11)26)18-19(22(28)25-21(18)27)13-9-30-20-10(13)4-3-5-17(20)29-2/h3-9H,1-2H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	247	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267565 (3-(6-Chloro-5-fluoro-1-methyl-1H-indol-3-yl)-4-(7-...) Show SMILES COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13| Show InChI InChI=1S/C22H14ClFN2O4/c1-26-8-12(11-6-15(24)14(23)7-16(11)26)18-19(22(28)25-21(18)27)13-9-30-20-10(13)4-3-5-17(20)29-2/h3-9H,1-2H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267845 (3-(5,6-Difluorobenzofuran-3-yl)-4-(1-methyl-1H-ben...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(F)c(F)cc23)c2ccc3ccccc3c12 |t:4| Show InChI InChI=1S/C25H14F2N2O3/c1-29-10-16(14-7-6-12-4-2-3-5-13(12)23(14)29)21-22(25(31)28-24(21)30)17-11-32-20-9-19(27)18(26)8-15(17)20/h2-11H,1H3,(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267641 (3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-[6-(4-methoxy...) Show SMILES COc1ccc(COc2ccc3c(coc3c2)C2=C(C(=O)NC2=O)c2cn(C)c3ccc(Br)cc23)cc1 |t:19| Show InChI InChI=1S/C29H21BrN2O5/c1-32-13-22(21-11-17(30)5-10-24(21)32)26-27(29(34)31-28(26)33)23-15-37-25-12-19(8-9-20(23)25)36-14-16-3-6-18(35-2)7-4-16/h3-13,15H,14H2,1-2H3,(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	335	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50267607 (3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(6-hydroxymet...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C22H15BrN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	337	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267717 (3-Benzofuran-3-yl-4-(6-chloro-5-methoxy-1-methyl-1...) Show SMILES COc1cc2c(cn(C)c2cc1Cl)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15| Show InChI InChI=1S/C22H15ClN2O4/c1-25-9-13(12-7-18(28-2)15(23)8-16(12)25)19-20(22(27)24-21(19)26)14-10-29-17-6-4-3-5-11(14)17/h3-10H,1-2H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair

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