Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'eguchi' and Initial = 'j'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50351401 (CHEMBL1819091) Show SMILES CC[C@@]1(N)CCCN(C1)c1cc2n(C)c(=O)n(C)c(=O)c2n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-23(26)8-5-9-29(14-23)19-11-18-20(21(31)28(3)22(32)27(18)2)30(19)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50351399 (CHEMBL1819089) Show SMILES Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
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))	BDBM50269447 (CHEMBL4076186) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H	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	0.25	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269447 (CHEMBL4076186) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H	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	0.25	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50351399 (CHEMBL1819089) Show SMILES Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					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))	BDBM50269455 (CHEMBL4087402) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269455 (CHEMBL4087402) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11695 ((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r| Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269492 (CHEMBL4067532) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13/h2-6,9-10,12,17,22H,7-8,11H2,1H3	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	1.10	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					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))	BDBM50269452 (CHEMBL4105346) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCN[C@H](C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H19ClN6O.ClH/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13;/h2-7,10,12,17,22H,8-9,11H2,1H3;1H/t17-;/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	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					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 (Homo sapiens (Human))	BDBM50269485 (CHEMBL4071429) Show SMILES Cl.COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H20F2N6O2.ClH/c1-27-18(29)9-15(14-3-4-23-11-25-14)26-20(27)28-6-5-24-16(10-28)19-13(22)7-12(21)8-17(19)30-2;/h3-4,7-9,11,16,24H,5-6,10H2,1-2H3;1H	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	1.70	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269494 (CHEMBL4104714) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13/h2-7,10,12,17,22H,8-9,11H2,1H3	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	1.70	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269471 (CHEMBL4085821) Show SMILES Cl.COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H23N5O2.ClH/c1-25-20(27)13-17(15-7-9-22-10-8-15)24-21(25)26-12-11-23-18(14-26)16-5-3-4-6-19(16)28-2;/h3-10,13,18,23H,11-12,14H2,1-2H3;1H	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	1.80	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269472 (CHEMBL4065624) Show SMILES Cl.COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-16(15-7-8-21-13-23-15)24-20(25)26-10-9-22-17(12-26)14-5-3-4-6-18(14)28-2;/h3-8,11,13,17,22H,9-10,12H2,1-2H3;1H	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	1.80	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269484 (CHEMBL4098458) Show SMILES Cl.COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H21F2N5O2.ClH/c1-27-19(29)11-16(13-3-5-24-6-4-13)26-21(27)28-8-7-25-17(12-28)20-15(23)9-14(22)10-18(20)30-2;/h3-6,9-11,17,25H,7-8,12H2,1-2H3;1H	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	2	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269464 (CHEMBL4088777) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Br)c1 Show InChI InChI=1S/C19H19BrN6O.ClH/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13;/h2-6,9-10,12,17,22H,7-8,11H2,1H3;1H	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	2	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					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))	BDBM50269457 (CHEMBL4072455) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H18Cl2N6O/c1-26-18(28)9-16(15-4-5-22-11-24-15)25-19(26)27-7-6-23-17(10-27)12-2-3-13(20)14(21)8-12/h2-5,8-9,11,17,23H,6-7,10H2,1H3	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	2.30	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269489 (CHEMBL4073837) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1Cl Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-4-2-3-5-14(13)20/h2-7,10,12,17,22H,8-9,11H2,1H3	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	2.60	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					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))	BDBM50269493 (CHEMBL4096472) Show SMILES Cl.COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-17(16-7-8-21-13-23-16)24-20(25)26-10-9-22-18(12-26)14-3-5-15(28-2)6-4-14;/h3-8,11,13,18,22H,9-10,12H2,1-2H3;1H	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	3.5	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50269456 (CHEMBL4089702) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1Br Show InChI InChI=1S/C19H19BrN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-4-2-3-5-14(13)20/h2-7,10,12,17,22H,8-9,11H2,1H3	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	4.30	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269490 (CHEMBL4100923) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H19Cl2N5O/c1-26-19(28)11-17(13-4-6-23-7-5-13)25-20(26)27-9-8-24-18(12-27)14-2-3-15(21)16(22)10-14/h2-7,10-11,18,24H,8-9,12H2,1H3	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	4.30	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269465 (CHEMBL4078436) Show SMILES Cl.COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H23N5O2.ClH/c1-25-20(27)13-18(16-7-9-22-10-8-16)24-21(25)26-12-11-23-19(14-26)15-3-5-17(28-2)6-4-15;/h3-10,13,19,23H,11-12,14H2,1-2H3;1H	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	4.70	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					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 (Homo sapiens (Human))	BDBM50269459 (CHEMBL4062791) Show SMILES COc1ccc(cc1OC)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C22H25N5O3/c1-26-21(28)13-17(15-6-8-23-9-7-15)25-22(26)27-11-10-24-18(14-27)16-4-5-19(29-2)20(12-16)30-3/h4-9,12-13,18,24H,10-11,14H2,1-3H3	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	5.20	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269463 (CHEMBL4080891) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClN5O/c1-25-19(27)12-17(14-5-7-22-8-6-14)24-20(25)26-10-9-23-18(13-26)15-3-2-4-16(21)11-15/h2-8,11-12,18,23H,9-10,13H2,1H3	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	5.40	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269468 (CHEMBL4080483) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN5O/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14/h2-9,12,18,23H,10-11,13H2,1H3	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	6.60	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269491 (CHEMBL4097431) Show SMILES Cl.COc1cccc(c1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-17(16-6-7-21-13-23-16)24-20(25)26-9-8-22-18(12-26)14-4-3-5-15(10-14)28-2;/h3-7,10-11,13,18,22H,8-9,12H2,1-2H3;1H	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	6.70	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					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 (Homo sapiens (Human))	BDBM50269483 (CHEMBL4089283) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H19N7O.ClH/c1-26-19(28)10-17(16-6-7-22-13-24-16)25-20(26)27-9-8-23-18(12-27)15-4-2-14(11-21)3-5-15;/h2-7,10,13,18,23H,8-9,12H2,1H3;1H	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	7.40	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269458 (CHEMBL4082944) Show SMILES COc1ccc(cc1OC)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C21H24N6O3/c1-26-20(28)11-16(15-6-7-22-13-24-15)25-21(26)27-9-8-23-17(12-27)14-4-5-18(29-2)19(10-14)30-3/h4-7,10-11,13,17,23H,8-9,12H2,1-3H3	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	7.80	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 recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair

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