Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'shoda' and Initial = 'a'   

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))	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
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))	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))	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
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
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
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
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
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
Casein kinase I isoform alpha (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CK1 (unknown origin)				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494543 (CHEMBL3093037) Show SMILES CC(C)c1nc(cc(=O)[nH]1)-c1ccncc1 Show InChI InChI=1S/C12H13N3O/c1-8(2)12-14-10(7-11(16)15-12)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,15,16)	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	2.10E+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))	BDBM50494537 (CHEMBL3093046) Show SMILES O=c1cc(nc(CCCc2ccccc2)n1Cc1ccccc1)-c1ccncc1 Show InChI InChI=1S/C25H23N3O/c29-25-18-23(22-14-16-26-17-15-22)27-24(13-7-12-20-8-3-1-4-9-20)28(25)19-21-10-5-2-6-11-21/h1-6,8-11,14-18H,7,12-13,19H2	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	2.20E+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))	BDBM50494538 (CHEMBL3093038) Show SMILES CC(C)Cc1nc(cc(=O)[nH]1)-c1ccncc1 Show InChI InChI=1S/C13H15N3O/c1-9(2)7-12-15-11(8-13(17)16-12)10-3-5-14-6-4-10/h3-6,8-9H,7H2,1-2H3,(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	2.40E+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))	BDBM50494527 (CHEMBL3093035) Show SMILES Cc1nc(cc(=O)[nH]1)-c1ccncc1 Show InChI InChI=1S/C10H9N3O/c1-7-12-9(6-10(14)13-7)8-2-4-11-5-3-8/h2-6H,1H3,(H,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443880 (CHEMBL3091537) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C20H18N6O2/c1-25-19(27)10-17(16-6-7-22-13-23-16)24-20(25)26-8-9-28-18(12-26)15-4-2-14(11-21)3-5-15/h2-7,10,13,18H,8-9,12H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443881 (CHEMBL3091531) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H18F2N4O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)22)24-20(25)26-8-9-28-18(12-26)13-2-4-14(21)5-3-13/h2-7,10-11,18H,8-9,12H2,1H3/t18-/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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494542 (CHEBI:48607 | Chlorolithium | Lithium Chloride | L...) Show SMILES [Li;v0+].[Cl-] Show InChI InChI=1S//	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.53E+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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443879 (CHEMBL3091538) Show SMILES COc1ccc(cc1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-17(16-7-8-21-13-22-16)23-20(24)25-9-10-28-18(12-25)14-3-5-15(27-2)6-4-14/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494524 (CHEMBL3093041) Show SMILES O=c1cc(nc(CCc2ccccc2)[nH]1)-c1ccncc1 Show InChI InChI=1S/C17H15N3O/c21-17-12-15(14-8-10-18-11-9-14)19-16(20-17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,19,20,21)	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	8.90E+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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494521 (CHEMBL3093045) Show SMILES CCCn1c(CCCc2ccccc2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C21H23N3O/c1-2-15-24-20(10-6-9-17-7-4-3-5-8-17)23-19(16-21(24)25)18-11-13-22-14-12-18/h3-5,7-8,11-14,16H,2,6,9-10,15H2,1H3	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	9.80E+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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443876 (CHEMBL3091540) Show SMILES COc1ccccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-16(15-7-8-21-13-22-15)23-20(24)25-9-10-28-18(12-25)14-5-3-4-6-17(14)27-2/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/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	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443876 (CHEMBL3091540) Show SMILES COc1ccccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-16(15-7-8-21-13-22-15)23-20(24)25-9-10-28-18(12-25)14-5-3-4-6-17(14)27-2/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443875 (CHEMBL3091541) Show SMILES COc1cc(F)ccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H20FN5O3/c1-25-19(27)10-16(15-5-6-22-12-23-15)24-20(25)26-7-8-29-18(11-26)14-4-3-13(21)9-17(14)28-2/h3-6,9-10,12,18H,7-8,11H2,1-2H3/t18-/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	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443882 (CHEMBL3091529) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3/t18-/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	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443875 (CHEMBL3091541) Show SMILES COc1cc(F)ccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H20FN5O3/c1-25-19(27)10-16(15-5-6-22-12-23-15)24-20(25)26-7-8-29-18(11-26)14-4-3-13(21)9-17(14)28-2/h3-6,9-10,12,18H,7-8,11H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443872 (CHEMBL3091544) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1c(F)cccc1Cl |r| Show InChI InChI=1S/C19H17ClFN5O2/c1-25-17(27)9-15(14-5-6-22-11-23-14)24-19(25)26-7-8-28-16(10-26)18-12(20)3-2-4-13(18)21/h2-6,9,11,16H,7-8,10H2,1H3/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	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443881 (CHEMBL3091531) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H18F2N4O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)22)24-20(25)26-8-9-28-18(12-26)13-2-4-14(21)5-3-13/h2-7,10-11,18H,8-9,12H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443884 (CHEMBL3091546) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccccc1 Show InChI InChI=1S/C20H20N4O2/c1-23-19(25)13-17(15-7-9-21-10-8-15)22-20(23)24-11-12-26-18(14-24)16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3	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	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443877 (CHEMBL3091539) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccccc1F |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)13-4-2-3-5-14(13)20/h2-7,10,12,17H,8-9,11H2,1H3/t17-/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	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443883 (CHEMBL3091547) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3	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	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443878 (CHEMBL3091464) Show SMILES COc1cccc(c1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-17(16-6-7-21-13-22-16)23-20(24)25-8-9-28-18(12-25)14-4-3-5-15(10-14)27-2/h3-7,10-11,13,18H,8-9,12H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443873 (CHEMBL3091543) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(cc1F)C#N |r| Show InChI InChI=1S/C20H17FN6O2/c1-26-19(28)9-17(16-4-5-23-12-24-16)25-20(26)27-6-7-29-18(11-27)14-3-2-13(10-22)8-15(14)21/h2-5,8-9,12,18H,6-7,11H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (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 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	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443872 (CHEMBL3091544) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1c(F)cccc1Cl |r| Show InChI InChI=1S/C19H17ClFN5O2/c1-25-17(27)9-15(14-5-6-22-11-23-14)24-19(25)26-7-8-28-16(10-26)18-12(20)3-2-4-13(18)21/h2-6,9,11,16H,7-8,10H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443877 (CHEMBL3091539) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccccc1F |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)13-4-2-3-5-14(13)20/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443883 (CHEMBL3091547) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443882 (CHEMBL3091529) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443884 (CHEMBL3091546) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccccc1 Show InChI InChI=1S/C20H20N4O2/c1-23-19(25)13-17(15-7-9-21-10-8-15)22-20(23)24-11-12-26-18(14-24)16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair

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