Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'shinoda' and Initial = 'm'   

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
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037039 (2-Amino-5,7-dimethyl-4-pyridin-3-ylmethyl-benzothi...) Show SMILES Cc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1 Show InChI InChI=1S/C15H15N3OS/c1-8-11(6-10-4-3-5-17-7-10)12-14(9(2)13(8)19)20-15(16)18-12/h3-5,7,19H,6H2,1-2H3,(H2,16,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50443870 (CHEMBL3091545) Show SMILES Cn1c(NCC(=O)c2ccccc2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H16N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50037037 (5,7-Dimethyl-2-methylamino-4-pyridin-3-ylmethyl-be...) Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Show InChI InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against thromboxane A2 (TXA2) synthetase in microsome of human platelets				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50037040 (2-Ethylamino-5,7-dimethyl-4-pyridin-3-ylmethyl-ben...) Show SMILES CCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Show InChI InChI=1S/C17H19N3OS/c1-4-19-17-20-14-13(8-12-6-5-7-18-9-12)10(2)15(21)11(3)16(14)22-17/h5-7,9,21H,4,8H2,1-3H3,(H,19,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against thromboxane A2 (TXA2) synthetase in microsome of human platelets				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494529 (CHEMBL3093032) Show SMILES Cn1c(NCC(=O)c2cccc(Cl)c2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H15ClN4O2/c1-23-17(25)10-15(12-5-7-20-8-6-12)22-18(23)21-11-16(24)13-3-2-4-14(19)9-13/h2-10H,11H2,1H3,(H,21,22)	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	13	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494539 (CHEMBL3093034) Show SMILES Cn1c(NCC(=O)c2cccc(c2)C#N)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C19H15N5O2/c1-24-18(26)10-16(14-5-7-21-8-6-14)23-19(24)22-12-17(25)15-4-2-3-13(9-15)11-20/h2-10H,12H2,1H3,(H,22,23)	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	13	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494532 (CHEMBL3093050) Show SMILES Cn1c(NCC(O)c2ccccc2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H18N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11,16,23H,12H2,1H3,(H,20,21)	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	23	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494536 (CHEMBL3093054) Show SMILES Cn1c(NCC(=O)c2cccc(F)c2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H15FN4O2/c1-23-17(25)10-15(12-5-7-20-8-6-12)22-18(23)21-11-16(24)13-3-2-4-14(19)9-13/h2-10H,11H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494544 (CHEMBL3093053) Show SMILES Cn1c(NCC(=O)c2ccccc2F)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H15FN4O2/c1-23-17(25)10-15(12-6-8-20-9-7-12)22-18(23)21-11-16(24)13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,21,22)	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	27	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50037044 (4-[(6-Hydroxy-4,5,7-trimethyl-benzothiazol-2-ylami...) Show SMILES Cc1c(C)c2nc(NCc3ccc(cc3)S(N)(=O)=O)sc2c(C)c1O Show InChI InChI=1S/C17H19N3O3S2/c1-9-10(2)15(21)11(3)16-14(9)20-17(24-16)19-8-12-4-6-13(7-5-12)25(18,22)23/h4-7,21H,8H2,1-3H3,(H,19,20)(H2,18,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against leukotriene B4 (LTB4) receptor in human neutrophils				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494528 (CHEMBL3093033) Show SMILES Cc1cccc(c1)C(=O)CNc1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C19H18N4O2/c1-13-4-3-5-15(10-13)17(24)12-21-19-22-16(11-18(25)23(19)2)14-6-8-20-9-7-14/h3-11H,12H2,1-2H3,(H,21,22)	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	38	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494540 (CHEMBL3093049) Show SMILES Cn1c(NCCC2CCCCC2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H24N4O/c1-22-17(23)13-16(15-8-10-19-11-9-15)21-18(22)20-12-7-14-5-3-2-4-6-14/h8-11,13-14H,2-7,12H2,1H3,(H,20,21)	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	39	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494530 (CHEMBL3093031) Show SMILES Cn1c(NCC(=O)c2ccc(F)cc2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H15FN4O2/c1-23-17(25)10-15(12-6-8-20-9-7-12)22-18(23)21-11-16(24)13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,21,22)	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	52	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494533 (CHEMBL3093048) Show SMILES Cn1c(NCCc2ccccc2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H18N4O/c1-22-17(23)13-16(15-8-10-19-11-9-15)21-18(22)20-12-7-14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,20,21)	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	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494535 (CHEMBL3093043) Show SMILES Cn1c(CCCc2ccccc2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C19H19N3O/c1-22-18(9-5-8-15-6-3-2-4-7-15)21-17(14-19(22)23)16-10-12-20-13-11-16/h2-4,6-7,10-14H,5,8-9H2,1H3	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	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037036 (5,7-Dimethoxy-2-[(pyridin-3-ylmethyl)-amino]-benzo...) Show SMILES COc1cc2nc(NCc3cccnc3)sc2c(OC)c1O Show InChI InChI=1S/C15H15N3O3S/c1-20-11-6-10-14(13(21-2)12(11)19)22-15(18-10)17-8-9-4-3-5-16-7-9/h3-7,19H,8H2,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037037 (5,7-Dimethyl-2-methylamino-4-pyridin-3-ylmethyl-be...) Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Show InChI InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037051 (5,7-Dimethyl-2-propylamino-4-pyridin-3-ylmethyl-be...) Show SMILES CCCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Show InChI InChI=1S/C18H21N3OS/c1-4-7-20-18-21-15-14(9-13-6-5-8-19-10-13)11(2)16(22)12(3)17(15)23-18/h5-6,8,10,22H,4,7,9H2,1-3H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037040 (2-Ethylamino-5,7-dimethyl-4-pyridin-3-ylmethyl-ben...) Show SMILES CCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Show InChI InChI=1S/C17H19N3OS/c1-4-19-17-20-14-13(8-12-6-5-7-18-9-12)10(2)15(21)11(3)16(14)22-17/h5-7,9,21H,4,8H2,1-3H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037037 (5,7-Dimethyl-2-methylamino-4-pyridin-3-ylmethyl-be...) Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Show InChI InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037046 (2-Amino-5-methoxy-7-methyl-4-pyridin-3-ylmethyl-be...) Show SMILES COc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1 Show InChI InChI=1S/C15H15N3O2S/c1-8-12(19)13(20-2)10(6-9-4-3-5-17-7-9)11-14(8)21-15(16)18-11/h3-5,7,19H,6H2,1-2H3,(H2,16,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494531 (CHEMBL3093051) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N(CCCCN)CCc1ccccc1 Show InChI InChI=1S/C22H27N5O/c1-26-21(28)17-20(19-9-13-24-14-10-19)25-22(26)27(15-6-5-12-23)16-11-18-7-3-2-4-8-18/h2-4,7-10,13-14,17H,5-6,11-12,15-16,23H2,1H3	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	130	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494541 (CHEMBL3093052) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N(CCCCCN)CCc1ccccc1 Show InChI InChI=1S/C23H29N5O/c1-27-22(29)18-21(20-10-14-25-15-11-20)26-23(27)28(16-7-3-6-13-24)17-12-19-8-4-2-5-9-19/h2,4-5,8-11,14-15,18H,3,6-7,12-13,16-17,24H2,1H3	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	150	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037041 (2-Amino-7-ethyl-5-methoxy-4-pyridin-3-ylmethyl-ben...) Show SMILES CCc1c(O)c(OC)c(Cc2cccnc2)c2nc(N)sc12 Show InChI InChI=1S/C16H17N3O2S/c1-3-10-13(20)14(21-2)11(7-9-5-4-6-18-8-9)12-15(10)22-16(17)19-12/h4-6,8,20H,3,7H2,1-2H3,(H2,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037046 (2-Amino-5-methoxy-7-methyl-4-pyridin-3-ylmethyl-be...) Show SMILES COc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1 Show InChI InChI=1S/C15H15N3O2S/c1-8-12(19)13(20-2)10(6-9-4-3-5-17-7-9)11-14(8)21-15(16)18-11/h3-5,7,19H,6H2,1-2H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037045 (5-Methoxy-7-methyl-2-methylamino-4-pyridin-3-ylmet...) Show SMILES CNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1 Show InChI InChI=1S/C16H17N3O2S/c1-9-13(20)14(21-3)11(7-10-5-4-6-18-8-10)12-15(9)22-16(17-2)19-12/h4-6,8,20H,7H2,1-3H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037041 (2-Amino-7-ethyl-5-methoxy-4-pyridin-3-ylmethyl-ben...) Show SMILES CCc1c(O)c(OC)c(Cc2cccnc2)c2nc(N)sc12 Show InChI InChI=1S/C16H17N3O2S/c1-3-10-13(20)14(21-2)11(7-9-5-4-6-18-8-9)12-15(10)22-16(17)19-12/h4-6,8,20H,3,7H2,1-2H3,(H2,17,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037039 (2-Amino-5,7-dimethyl-4-pyridin-3-ylmethyl-benzothi...) Show SMILES Cc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1 Show InChI InChI=1S/C15H15N3OS/c1-8-11(6-10-4-3-5-17-7-10)12-14(9(2)13(8)19)20-15(16)18-12/h3-5,7,19H,6H2,1-2H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM155229 (US9006232, 2.002) Show SMILES Cn1c(OCCc2ccccc2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H17N3O2/c1-21-17(22)13-16(15-7-10-19-11-8-15)20-18(21)23-12-9-14-5-3-2-4-6-14/h2-8,10-11,13H,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	200	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037044 (4-[(6-Hydroxy-4,5,7-trimethyl-benzothiazol-2-ylami...) Show SMILES Cc1c(C)c2nc(NCc3ccc(cc3)S(N)(=O)=O)sc2c(C)c1O Show InChI InChI=1S/C17H19N3O3S2/c1-9-10(2)15(21)11(3)16-14(9)20-17(24-16)19-8-12-4-6-13(7-5-12)25(18,22)23/h4-7,21H,8H2,1-3H3,(H,19,20)(H2,18,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against 5-lipoxygenase in microsome of RBL-1 cells				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50037037 (5,7-Dimethyl-2-methylamino-4-pyridin-3-ylmethyl-be...) Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Show InChI InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against leukotriene B4 (LTB4) receptor in human neutrophils				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037037 (5,7-Dimethyl-2-methylamino-4-pyridin-3-ylmethyl-be...) Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Show InChI InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against 5-lipoxygenase in microsome of RBL-1 cells				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037038 (2-Ethylamino-4,7-dimethyl-5-pyridin-3-ylmethyl-ben...) Show SMILES CCNc1nc2c(C)c(Cc3cccnc3)c(O)c(C)c2s1 Show InChI InChI=1S/C17H19N3OS/c1-4-19-17-20-14-10(2)13(8-12-6-5-7-18-9-12)15(21)11(3)16(14)22-17/h5-7,9,21H,4,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037047 (2-Amino-4,5-dimethyl-7-pyridin-3-ylmethyl-benzothi...) Show SMILES Cc1c(C)c2nc(N)sc2c(Cc2cccnc2)c1O Show InChI InChI=1S/C15H15N3OS/c1-8-9(2)13(19)11(6-10-4-3-5-17-7-10)14-12(8)18-15(16)20-14/h3-5,7,19H,6H2,1-2H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037043 (2-Ethylamino-4,5-dimethyl-7-pyridin-3-ylmethyl-ben...) Show SMILES CCNc1nc2c(C)c(C)c(O)c(Cc3cccnc3)c2s1 Show InChI InChI=1S/C17H19N3OS/c1-4-19-17-20-14-10(2)11(3)15(21)13(16(14)22-17)8-12-6-5-7-18-9-12/h5-7,9,21H,4,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against 5-lipoxygenase in microsome of RBL-1 cells				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037053 (4,7-Dimethyl-2-methylamino-5-pyridin-3-ylmethyl-be...) Show SMILES CNc1nc2c(C)c(Cc3cccnc3)c(O)c(C)c2s1 Show InChI InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)14(20)10(2)15-13(9)19-16(17-3)21-15/h4-6,8,20H,7H2,1-3H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037048 (7-Ethyl-5-methoxy-2-methylamino-4-pyridin-3-ylmeth...) Show SMILES CCc1c(O)c(OC)c(Cc2cccnc2)c2nc(NC)sc12 Show InChI InChI=1S/C17H19N3O2S/c1-4-11-14(21)15(22-3)12(8-10-6-5-7-19-9-10)13-16(11)23-17(18-2)20-13/h5-7,9,21H,4,8H2,1-3H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50037038 (2-Ethylamino-4,7-dimethyl-5-pyridin-3-ylmethyl-ben...) Show SMILES CCNc1nc2c(C)c(Cc3cccnc3)c(O)c(C)c2s1 Show InChI InChI=1S/C17H19N3OS/c1-4-19-17-20-14-10(2)13(8-12-6-5-7-18-9-12)15(21)11(3)16(14)22-17/h5-7,9,21H,4,8H2,1-3H3,(H,19,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against thromboxane A2 (TXA2) synthetase in microsome of human platelets				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company Ltd. Curated by ChEMBL					Assay Description In vitro activities of Leukotriene B4 receptor (LTB4) in human neutrophils				J Med Chem 39: 3148-57 (1996) Article DOI: 10.1021/jm950725r BindingDB Entry DOI: 10.7270/Q2R2121S
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494522 (CHEMBL3093042) Show SMILES O=c1cc(nc(CCCc2ccccc2)[nH]1)-c1ccncc1 Show InChI InChI=1S/C18H17N3O/c22-18-13-16(15-9-11-19-12-10-15)20-17(21-18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H,20,21,22)	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	500	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037038 (2-Ethylamino-4,7-dimethyl-5-pyridin-3-ylmethyl-ben...) Show SMILES CCNc1nc2c(C)c(Cc3cccnc3)c(O)c(C)c2s1 Show InChI InChI=1S/C17H19N3OS/c1-4-19-17-20-14-10(2)13(8-12-6-5-7-18-9-12)15(21)11(3)16(14)22-17/h5-7,9,21H,4,8H2,1-3H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50037043 (2-Ethylamino-4,5-dimethyl-7-pyridin-3-ylmethyl-ben...) Show SMILES CCNc1nc2c(C)c(C)c(O)c(Cc3cccnc3)c2s1 Show InChI InChI=1S/C17H19N3OS/c1-4-19-17-20-14-10(2)11(3)15(21)13(16(14)22-17)8-12-6-5-7-18-9-12/h5-7,9,21H,4,8H2,1-3H3,(H,19,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against thromboxane A2 (TXA2) synthetase in microsome of human platelets				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037040 (2-Ethylamino-5,7-dimethyl-4-pyridin-3-ylmethyl-ben...) Show SMILES CCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 Show InChI InChI=1S/C17H19N3OS/c1-4-19-17-20-14-13(8-12-6-5-7-18-9-12)10(2)15(21)11(3)16(14)22-17/h5-7,9,21H,4,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against 5-lipoxygenase in microsome of RBL-1 cells				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494523 (CHEMBL3093036) Show SMILES CCCCc1nc(cc(=O)[nH]1)-c1ccncc1 Show InChI InChI=1S/C13H15N3O/c1-2-3-4-12-15-11(9-13(17)16-12)10-5-7-14-8-6-10/h5-9H,2-4H2,1H3,(H,15,16,17)	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	1.30E+3	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494525 (CHEMBL3093040) Show SMILES O=c1cc(nc(Cc2ccccc2)[nH]1)-c1ccncc1 Show InChI InChI=1S/C16H13N3O/c20-16-11-14(13-6-8-17-9-7-13)18-15(19-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19,20)	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	1.30E+3	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037045 (5-Methoxy-7-methyl-2-methylamino-4-pyridin-3-ylmet...) Show SMILES CNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1 Show InChI InChI=1S/C16H17N3O2S/c1-9-13(20)14(21-3)11(7-10-5-4-6-18-8-10)12-15(9)22-16(17-2)19-12/h4-6,8,20H,7H2,1-3H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037050 (4-Phenyl-2-[(pyridin-3-ylmethyl)-amino]-benzothiaz...) Show SMILES Oc1cc(-c2ccccc2)c2nc(NCc3cccnc3)sc2c1 Show InChI InChI=1S/C19H15N3OS/c23-15-9-16(14-6-2-1-3-7-14)18-17(10-15)24-19(22-18)21-12-13-5-4-8-20-11-13/h1-11,23H,12H2,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50037042 (4-Methyl-2-[(pyridin-3-ylmethyl)-amino]-naphtho[1,...) Show SMILES Cc1c(O)c2ccccc2c2nc(NCc3cccnc3)sc12 Show InChI InChI=1S/C18H15N3OS/c1-11-16(22)14-7-3-2-6-13(14)15-17(11)23-18(21-15)20-10-12-5-4-8-19-9-12/h2-9,22H,10H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494526 (CHEMBL3093039) Show SMILES O=c1cc(nc([nH]1)-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C15H11N3O/c19-14-10-13(11-6-8-16-9-7-11)17-15(18-14)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)	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	1.80E+3	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494534 (CHEMBL3093044) Show SMILES CCn1c(CCCc2ccccc2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C20H21N3O/c1-2-23-19(10-6-9-16-7-4-3-5-8-16)22-18(15-20(23)24)17-11-13-21-14-12-17/h3-5,7-8,11-15H,2,6,9-10H2,1H3	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	1.90E+3	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 using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair

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