Compile Data Set for Download or QSAR

Found 265 hits with Last Name = 'kohara' and Initial = 't'   

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))	BDBM50269429 (CHEMBL4084855) Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-4-6-17(29-3)7-5-16)10-11-27(15)21-24-19(12-20(28)25(21)2)18-8-9-22-14-23-18/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269428 (CHEMBL4063206) Show SMILES COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-5-4-6-17(11-16)29-3)9-10-27(15)21-24-19(12-20(28)25(21)2)18-7-8-22-14-23-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269437 (CHEMBL4077376) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(18-6-4-3-5-15(18)21)9-10-27(14)20-24-17(11-19(28)25(20)2)16-7-8-22-13-23-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269438 (CHEMBL4076060) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269443 (CHEMBL4095848) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-4-15(21)10-16)8-9-27(14)20-24-18(11-19(28)25(20)2)17-6-7-22-13-23-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269440 (CHEMBL4065818) Show SMILES COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(18-6-4-5-7-19(18)29-3)10-11-27(15)21-24-17(12-20(28)25(21)2)16-8-9-22-14-23-16/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269439 (CHEMBL4077048) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H21ClN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269426 (CHEMBL3719193) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1 |r| Show InChI InChI=1S/C20H22N6O/c1-15-13-25(16-6-4-3-5-7-16)10-11-26(15)20-23-18(12-19(27)24(20)2)17-8-9-21-14-22-17/h3-9,12,14-15H,10-11,13H2,1-2H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155160 (US9006232, 1.106) Show SMILES COc1cccc(c1)N1CCCC(C1)Oc1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C21H23N5O3/c1-25-20(27)12-19(18-8-9-22-14-23-18)24-21(25)29-17-7-4-10-26(13-17)15-5-3-6-16(11-15)28-2/h3,5-6,8-9,11-12,14,17H,4,7,10,13H2,1-2H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269431 (CHEMBL4074586) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C21H21N7O/c1-15-13-27(17-5-3-4-16(10-17)12-22)8-9-28(15)21-25-19(11-20(29)26(21)2)18-6-7-23-14-24-18/h3-7,10-11,14-15H,8-9,13H2,1-2H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269413 (CHEMBL4093559) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C21H21N7O/c1-15-13-27(17-5-3-16(12-22)4-6-17)9-10-28(15)21-25-19(11-20(29)26(21)2)18-7-8-23-14-24-18/h3-8,11,14-15H,9-10,13H2,1-2H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064157 (CHEMBL3401132) Show SMILES [H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/m1/s1	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064156 (CHEMBL3401131) Show SMILES [H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/m1/s1	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269415 (CHEMBL4065956) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccncc1 |r| Show InChI InChI=1S/C19H21N7O/c1-14-12-25(15-3-6-20-7-4-15)9-10-26(14)19-23-17(11-18(27)24(19)2)16-5-8-21-13-22-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269416 (CHEMBL4067170) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccnc1 |r| Show InChI InChI=1S/C19H21N7O/c1-14-12-25(15-4-3-6-20-11-15)8-9-26(14)19-23-17(10-18(27)24(19)2)16-5-7-21-13-22-16/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269417 (CHEMBL4093930) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccn1 |r| Show InChI InChI=1S/C19H21N7O/c1-14-12-25(17-5-3-4-7-21-17)9-10-26(14)19-23-16(11-18(27)24(19)2)15-6-8-20-13-22-15/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064154 (CHEMBL3401129) Show SMILES [H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m1/s1	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269430 (CHEMBL4101293) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1C#N |r| Show InChI InChI=1S/C21H21N7O/c1-15-13-27(19-6-4-3-5-16(19)12-22)9-10-28(15)21-25-18(11-20(29)26(21)2)17-7-8-23-14-24-17/h3-8,11,14-15H,9-10,13H2,1-2H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064152 (CHEMBL3401127) Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1	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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155169 (US9006232, 1.203) Show SMILES CN1CCN(Cc2ccc(cc2)N2CCC(CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1 Show InChI InChI=1S/C26H33N7O2/c1-30-13-15-32(16-14-30)18-20-3-5-21(6-4-20)33-11-8-22(9-12-33)35-26-29-24(17-25(34)31(26)2)23-7-10-27-19-28-23/h3-7,10,17,19,22H,8-9,11-16,18H2,1-2H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064143 (CHEMBL3401118) Show SMILES C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155226 (US9006232, 1.903) Show SMILES CN1CCN(Cc2ccc(cc2)[C@H]2CC[C@@H](CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1 |r,wU:12.12,wD:15.19,(-10,-.77,;-8.67,,;-8.67,1.54,;-7.34,2.31,;-6,1.54,;-4.67,2.31,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-.67,,;-2,-.77,;-3.33,,;.67,-.77,;2,,;3.33,-.77,;3.33,-2.31,;2,-3.08,;.67,-2.31,;4.67,-3.08,;6,-2.31,;6,-.77,;7.34,,;8.67,-.77,;8.67,-2.31,;10,-3.08,;7.34,-3.08,;7.34,-4.62,;7.34,1.54,;6,2.31,;6,3.85,;7.34,4.62,;8.67,3.85,;8.67,2.31,;-6,,;-7.34,-.77,)| Show InChI InChI=1S/C27H34N6O2/c1-31-13-15-33(16-14-31)18-20-3-5-21(6-4-20)22-7-9-23(10-8-22)35-27-30-25(17-26(34)32(27)2)24-11-12-28-19-29-24/h3-6,11-12,17,19,22-23H,7-10,13-16,18H2,1-2H3/t22-,23-	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269427 (CHEMBL4082198) Show SMILES C[C@@H]1CN(Cc2ccccc2)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O/c1-16-13-26(14-17-6-4-3-5-7-17)10-11-27(16)21-24-19(12-20(28)25(21)2)18-8-9-22-15-23-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155185 (US9006232, 1.219) Show SMILES Cn1c(OC2CCN(CC2)c2ccc(CN3Cc4ccccc4C3)cc2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C29H30N6O2/c1-33-28(36)16-27(26-10-13-30-20-31-26)32-29(33)37-25-11-14-35(15-12-25)24-8-6-21(7-9-24)17-34-18-22-4-2-3-5-23(22)19-34/h2-10,13,16,20,25H,11-12,14-15,17-19H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155158 (US9006232, 1.104) Show SMILES Cn1c(OC2CCCN(C2)c2cccc(F)c2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C20H20FN5O2/c1-25-19(27)11-18(17-7-8-22-13-23-17)24-20(25)28-16-6-3-9-26(12-16)15-5-2-4-14(21)10-15/h2,4-5,7-8,10-11,13,16H,3,6,9,12H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155155 (US9006232, 1.101) Show SMILES Cn1c(OC2CCCN(C2)c2ccccc2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C20H21N5O2/c1-24-19(26)12-18(17-9-10-21-14-22-17)23-20(24)27-16-8-5-11-25(13-16)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,16H,5,8,11,13H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.40	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155191 (US9006232, 1.225) Show SMILES Cn1c(OC2CCN(CC2)c2ccc3CNCc3c2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C22H24N6O2/c1-27-21(29)11-20(19-4-7-23-14-25-19)26-22(27)30-18-5-8-28(9-6-18)17-3-2-15-12-24-13-16(15)10-17/h2-4,7,10-11,14,18,24H,5-6,8-9,12-13H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.40	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM38219 (US9006232, 1.223) Show SMILES Cn1c(OC2CCN(CC2)c2cccc(CN3CCCCC3)c2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C20H17F6N3OS/c1-18(6-7-31-17(27)29-18)13-8-14(20(24,25)26)10-15(9-13)28-16(30)11-2-4-12(5-3-11)19(21,22)23/h2-5,8-10H,6-7H2,1H3,(H2,27,29)(H,28,30)	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.40	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064153 (CHEMBL3401128) Show SMILES CC1N(CCOC1(C)C)c1nc(cc(=O)n1C)-c1ccncc1F Show InChI InChI=1S/C17H21FN4O2/c1-11-17(2,3)24-8-7-22(11)16-20-14(9-15(23)21(16)4)12-5-6-19-10-13(12)18/h5-6,9-11H,7-8H2,1-4H3	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	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155174 (US9006232, 1.208) Show SMILES Cn1c(OC2CCN(CC2)c2ccc(cc2)N2CCNCC2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C24H29N7O2/c1-29-23(32)16-22(21-6-9-26-17-27-21)28-24(29)33-20-7-12-30(13-8-20)18-2-4-19(5-3-18)31-14-10-25-11-15-31/h2-6,9,16-17,20,25H,7-8,10-15H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.7	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155182 (US9006232, 1.216) Show SMILES Cn1c(OC2CCN(CC2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncc1F Show InChI InChI=1S/C27H32FN5O2/c1-31-26(34)17-25(23-9-12-29-18-24(23)28)30-27(31)35-22-10-15-33(16-11-22)21-7-5-20(6-8-21)19-32-13-3-2-4-14-32/h5-9,12,17-18,22H,2-4,10-11,13-16,19H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.9	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155162 (US9006232, 1.108) Show SMILES Cn1c(OC2CCCN(C2)c2ccccn2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C19H20N6O2/c1-24-18(26)11-16(15-7-9-20-13-22-15)23-19(24)27-14-5-4-10-25(12-14)17-6-2-3-8-21-17/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.7	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50443871 (CHEMBL3091536) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155183 (US9006232, 1.217) Show SMILES Cn1c(OC2CCN(CC2)c2ccc(CN3CCCC3)cc2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C25H30N6O2/c1-29-24(32)16-23(22-8-11-26-18-27-22)28-25(29)33-21-9-14-31(15-10-21)20-6-4-19(5-7-20)17-30-12-2-3-13-30/h4-8,11,16,18,21H,2-3,9-10,12-15,17H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064141 (CHEMBL3401116) Show SMILES CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064142 (CHEMBL3401117) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCOC(C1)C1CCC1 Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)9-15(13-5-6-20-10-14(13)19)21-18(22)23-7-8-25-16(11-23)12-3-2-4-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155197 (US9006232, 1.231) Show SMILES Cn1c(OC2CCN(C2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C25H30N6O2/c1-29-24(32)15-23(22-9-11-26-18-27-22)28-25(29)33-21-10-14-31(17-21)20-7-5-19(6-8-20)16-30-12-3-2-4-13-30/h5-9,11,15,18,21H,2-4,10,12-14,16-17H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.8	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269409 (CHEMBL4064440) Show SMILES CC(C)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C17H24N6O/c1-12(2)22-7-8-23(13(3)10-22)17-20-15(9-16(24)21(17)4)14-5-6-18-11-19-14/h5-6,9,11-13H,7-8,10H2,1-4H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155168 (US9006232, 1.202) Show SMILES Cn1c(OC2CCN(CC2)c2ccc(CN3CCNCC3)cc2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C25H31N7O2/c1-30-24(33)16-23(22-6-9-27-18-28-22)29-25(30)34-21-7-12-32(13-8-21)20-4-2-19(3-5-20)17-31-14-10-26-11-15-31/h2-6,9,16,18,21,26H,7-8,10-15,17H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269423 (CHEMBL4068148) Show SMILES C[C@@H]1CNCCN1c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C14H18N6O/c1-10-8-15-5-6-20(10)14-18-12(7-13(21)19(14)2)11-3-4-16-9-17-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064145 (CHEMBL3401120) Show SMILES CC(C)[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-24-7-6-22(15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3/t15-/m0/s1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269422 (CHEMBL4095163) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cncnc1 |r| Show InChI InChI=1S/C18H20N8O/c1-13-10-25(14-8-20-11-21-9-14)5-6-26(13)18-23-16(7-17(27)24(18)2)15-3-4-19-12-22-15/h3-4,7-9,11-13H,5-6,10H2,1-2H3/t13-/m1/s1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155202 (US9006232, 1.302) Show SMILES CN1CCN(Cc2ccccc2N2CCC(CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1 Show InChI InChI=1S/C26H33N7O2/c1-30-13-15-32(16-14-30)18-20-5-3-4-6-24(20)33-11-8-21(9-12-33)35-26-29-23(17-25(34)31(26)2)22-7-10-27-19-28-22/h3-7,10,17,19,21H,8-9,11-16,18H2,1-2H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.9	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155200 (US9006232, 1.234) Show SMILES Cn1c(OCC2CCN(CC2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncc1F Show InChI InChI=1S/C28H34FN5O2/c1-32-27(35)17-26(24-9-12-30-18-25(24)29)31-28(32)36-20-22-10-15-34(16-11-22)23-7-5-21(6-8-23)19-33-13-3-2-4-14-33/h5-9,12,17-18,22H,2-4,10-11,13-16,19-20H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15.6	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064150 (CHEMBL3401125) Show SMILES C[C@@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11+/m1/s1	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
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155193 (US9006232, 1.227) Show SMILES Cn1c(OC2CCN(CC2)c2ccc3CN(Cc4ccccc4)Cc3c2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C29H30N6O2/c1-33-28(36)16-27(26-9-12-30-20-31-26)32-29(33)37-25-10-13-35(14-11-25)24-8-7-22-18-34(19-23(22)15-24)17-21-5-3-2-4-6-21/h2-9,12,15-16,20,25H,10-11,13-14,17-19H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064150 (CHEMBL3401125) Show SMILES C[C@@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11+/m1/s1	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
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155180 (US9006232, 1.214) Show SMILES Cn1c(OC2CCN(CC2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C26H32N6O2/c1-30-25(33)17-24(23-9-12-27-19-28-23)29-26(30)34-22-10-15-32(16-11-22)21-7-5-20(6-8-21)18-31-13-3-2-4-14-31/h5-9,12,17,19,22H,2-4,10-11,13-16,18H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.1	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064140 (CHEMBL3401115) Show SMILES CC(C)C1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-22(6-7-24-15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155175 (US9006232, 1.209) Show SMILES CN1CCN(CC1)c1ccc(cc1)N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C25H31N7O2/c1-29-13-15-32(16-14-29)20-5-3-19(4-6-20)31-11-8-21(9-12-31)34-25-28-23(17-24(33)30(25)2)22-7-10-26-18-27-22/h3-7,10,17-18,21H,8-9,11-16H2,1-2H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.9	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair

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