Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'gaisina' and Initial = 'in'   

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))	BDBM50491919 (CHEMBL2386094) Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCOCC1 |t:11| Show InChI InChI=1S/C28H23FN4O5/c29-17-11-16-13-33(28(36)31-7-9-37-10-8-31)6-5-32-14-20(19(12-17)25(16)32)23-24(27(35)30-26(23)34)21-15-38-22-4-2-1-3-18(21)22/h1-4,11-12,14-15H,5-10,13H2,(H,30,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0130	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491937 (CHEMBL2386090) Show SMILES O=C(N1CCn2cc(C3=C(C(=O)NC3=O)c3coc4ccccc34)c3cccc(C1)c23)c1cnccn1 |t:8| Show InChI InChI=1S/C28H19N5O4/c34-26-23(24(27(35)31-26)20-15-37-22-7-2-1-5-17(20)22)19-14-32-10-11-33(28(36)21-12-29-8-9-30-21)13-16-4-3-6-18(19)25(16)32/h1-9,12,14-15H,10-11,13H2,(H,31,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491946 (CHEMBL2386093) Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCC(CC1)N1CCCCC1 |t:11| Show InChI InChI=1S/C34H34FN5O4/c35-22-16-21-18-40(34(43)38-12-8-23(9-13-38)37-10-4-1-5-11-37)15-14-39-19-26(25(17-22)31(21)39)29-30(33(42)36-32(29)41)27-20-44-28-7-3-2-6-24(27)28/h2-3,6-7,16-17,19-20,23H,1,4-5,8-15,18H2,(H,36,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491944 (CHEMBL2386091) Show SMILES O=C(Cc1ccncc1)N1CCn2cc(C3=C(C(=O)NC3=O)c3coc4ccccc34)c3cccc(C1)c23 |t:16| Show InChI InChI=1S/C30H22N4O4/c35-25(14-18-8-10-31-11-9-18)33-12-13-34-16-22(21-6-3-4-19(15-33)28(21)34)26-27(30(37)32-29(26)36)23-17-38-24-7-2-1-5-20(23)24/h1-11,16-17H,12-15H2,(H,32,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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))	BDBM50491941 (CHEMBL2386272) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cnc3ccccn23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C20H13BrN4O2/c1-24-10-13(12-8-11(21)5-6-14(12)24)17-18(20(27)23-19(17)26)15-9-22-16-4-2-3-7-25(15)16/h2-10H,1H3,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.870	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491940 (CHEMBL2386092) Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCCCC1 |t:11| Show InChI InChI=1S/C29H25FN4O4/c30-18-12-17-14-34(29(37)32-8-4-1-5-9-32)11-10-33-15-21(20(13-18)26(17)33)24-25(28(36)31-27(24)35)22-16-38-23-7-3-2-6-19(22)23/h2-3,6-7,12-13,15-16H,1,4-5,8-11,14H2,(H,31,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491920 (CHEMBL2386088) Show SMILES Fc1cc2CNCCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23 |t:11| Show InChI InChI=1S/C23H16FN3O3/c24-13-7-12-9-25-5-6-27-10-16(15(8-13)21(12)27)19-20(23(29)26-22(19)28)17-11-30-18-4-2-1-3-14(17)18/h1-4,7-8,10-11,25H,5-6,9H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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	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 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	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))	BDBM50475017 (CHEMBL368248) Show SMILES O=C1NC(=O)C(=C1c1coc2ccccc12)c1cn2CCNCc3cccc1c23 |c:5| Show InChI InChI=1S/C23H17N3O3/c27-22-19(16-11-26-9-8-24-10-13-4-3-6-15(16)21(13)26)20(23(28)25-22)17-12-29-18-7-2-1-5-14(17)18/h1-7,11-12,24H,8-10H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491931 (CHEMBL2386096) Show SMILES OCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:6| Show InChI InChI=1S/C22H15FN2O4/c23-12-5-6-17-14(9-12)15(10-25(17)7-8-26)19-20(22(28)24-21(19)27)16-11-29-18-4-2-1-3-13(16)18/h1-6,9-11,26H,7-8H2,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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))	BDBM50491933 (CHEMBL2386106) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)cnc12 |t:4| Show InChI InChI=1S/C20H12BrN3O3/c1-24-8-13(12-6-10(21)7-22-18(12)24)16-17(20(26)23-19(16)25)14-9-27-15-5-3-2-4-11(14)15/h2-9H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491924 (CHEMBL2386112) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cnc3ccccn23)c2cc3OCOc3cc12 |t:4| Show InChI InChI=1S/C21H14N4O4/c1-24-9-12(11-6-15-16(7-13(11)24)29-10-28-15)18-19(21(27)23-20(18)26)14-8-22-17-4-2-3-5-25(14)17/h2-9H,10H2,1H3,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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))	BDBM50491923 (CHEMBL2386273) Show SMILES COCCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:16| Show InChI InChI=1S/C24H20N2O4/c1-26-12-17(16-8-5-6-14(22(16)26)10-11-29-2)20-21(24(28)25-23(20)27)18-13-30-19-9-4-3-7-15(18)19/h3-9,12-13H,10-11H2,1-2H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491936 (CHEMBL2386089) Show SMILES Brc1cc2CNCCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23 |t:11| Show InChI InChI=1S/C23H16BrN3O3/c24-13-7-12-9-25-5-6-27-10-16(15(8-13)21(12)27)19-20(23(29)26-22(19)28)17-11-30-18-4-2-1-3-14(17)18/h1-4,7-8,10-11,25H,5-6,9H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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))	BDBM50491939 (CHEMBL2386097) Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:7| Show InChI InChI=1S/C23H17FN2O4/c24-13-6-7-18-15(10-13)16(11-26(18)8-3-9-27)20-21(23(29)25-22(20)28)17-12-30-19-5-2-1-4-14(17)19/h1-2,4-7,10-12,27H,3,8-9H2,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491947 (CHEMBL2386108) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C20H13N3O3/c1-23-9-13(12-6-4-8-21-18(12)23)16-17(20(25)22-19(16)24)14-10-26-15-7-3-2-5-11(14)15/h2-10H,1H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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))	BDBM50491935 (CHEMBL2386102) Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H18N2O4/c1-28-11-10-25-12-16(14-6-2-4-8-18(14)25)20-21(23(27)24-22(20)26)17-13-29-19-9-5-3-7-15(17)19/h2-9,12-13H,10-11H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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	21	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491932 (CHEMBL2386095) Show SMILES OCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:6| Show InChI InChI=1S/C22H15BrN2O4/c23-12-5-6-17-14(9-12)15(10-25(17)7-8-26)19-20(22(28)24-21(19)27)16-11-29-18-4-2-1-3-13(16)18/h1-6,9-11,26H,7-8H2,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491926 (CHEMBL2386107) Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)cnc12 |t:7| Show InChI InChI=1S/C22H16BrN3O4/c1-29-7-6-26-10-15(14-8-12(23)9-24-20(14)26)18-19(22(28)25-21(18)27)16-11-30-17-5-3-2-4-13(16)17/h2-5,8-11H,6-7H2,1H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					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))	BDBM50491927 (CHEMBL2386105) Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)c(F)cc12 |t:7| Show InChI InChI=1S/C23H16F2N2O4/c1-30-7-6-27-10-14(13-8-16(24)17(25)9-18(13)27)20-21(23(29)26-22(20)28)15-11-31-19-5-3-2-4-12(15)19/h2-5,8-11H,6-7H2,1H3,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	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 GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair

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