Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'kucharski' 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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323659 (CHEMBL1208890 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C28H29N5O5S/c1-28(2,3)17-14-22(26(38-4)23(15-17)33-39(5,36)37)32-27(35)25(34)20-10-11-21(19-9-7-6-8-18(19)20)31-24-12-13-29-16-30-24/h6-16,33H,1-5H3,(H,32,35)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of phospho-p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323660 (CHEMBL1208891 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C29H30N4O5S/c1-29(2,3)18-16-24(27(38-4)25(17-18)33-39(5,36)37)32-28(35)26(34)22-10-11-23(21-9-7-6-8-20(21)22)31-19-12-14-30-15-13-19/h6-17,33H,1-5H3,(H,30,31)(H,32,35)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of phospho-p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377234 (CHEMBL402902) Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23| Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)	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	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377234 (CHEMBL402902) Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23| Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377237 (CHEMBL255735) Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-	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
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377235 (CHEMBL402541) Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377235 (CHEMBL402541) Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377237 (CHEMBL255735) Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323662 (CHEMBL1208954 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(n3)N3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C32H35N5O7S/c1-32(2,3)20-18-24(29(42-4)25(19-20)36-45(5,40)41)34-30(39)28(38)23-10-11-26(22-9-7-6-8-21(22)23)44-27-12-13-33-31(35-27)37-14-16-43-17-15-37/h6-13,18-19,36H,14-17H2,1-5H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of phospho-p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of phospho-p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377240 (CHEMBL404565) Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323668 (CHEMBL1208953 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES CNc1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(cc(NS(C)(=O)=O)c3OC)C(C)(C)C)c3ccccc23)n1 Show InChI InChI=1S/C29H32N6O5S/c1-29(2,3)17-15-22(26(40-5)23(16-17)35-41(6,38)39)33-27(37)25(36)20-11-12-21(19-10-8-7-9-18(19)20)32-24-13-14-31-28(30-4)34-24/h7-16,35H,1-6H3,(H,33,37)(H2,30,31,32,34)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of phospho-p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323666 (CHEMBL1209013 | N-(5-tert-butyl-3-cyano-2-methoxyp...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3ccnc(C)c3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C30H27N3O3/c1-18-14-19(12-13-32-18)22-10-11-25(24-9-7-6-8-23(22)24)27(34)29(35)33-26-16-21(30(2,3)4)15-20(17-31)28(26)36-5/h6-16H,1-5H3,(H,33,35)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377232 (CHEMBL253956) Show SMILES O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3| Show InChI InChI=1S/C18H12N6O2/c25-17-13-9-5-4-8-12(13)16(26-17)21-18-19-10-14-15(20-18)24(23-22-14)11-6-2-1-3-7-11/h1-10,16H,(H,19,20,21)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377232 (CHEMBL253956) Show SMILES O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3| Show InChI InChI=1S/C18H12N6O2/c25-17-13-9-5-4-8-12(13)16(26-17)21-18-19-10-14-15(20-18)24(23-22-14)11-6-2-1-3-7-11/h1-10,16H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377240 (CHEMBL404565) Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323660 (CHEMBL1208891 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C29H30N4O5S/c1-29(2,3)18-16-24(27(38-4)25(17-18)33-39(5,36)37)32-28(35)26(34)22-10-11-23(21-9-7-6-8-20(21)22)31-19-12-14-30-15-13-19/h6-17,33H,1-5H3,(H,30,31)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377231 (CHEMBL253748) Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20| Show InChI InChI=1S/C21H23N5O4/c27-19(28)15-1-3-16(4-2-15)23-20-22-11-17(26(29)30)18(24-20)25-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,27,28)(H2,22,23,24,25)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323650 (CHEMBL1209838 | N-(3-cyano-5-morpholinophenyl)-2-(...) Show SMILES O=C(Nc1cc(cc(c1)N1CCOCC1)C#N)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C29H30N4O5/c30-20-21-17-22(19-23(18-21)33-10-14-37-15-11-33)31-29(35)28(34)26-5-6-27(25-4-2-1-3-24(25)26)38-16-9-32-7-12-36-13-8-32/h1-6,17-19H,7-16H2,(H,31,35)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377241 (CHEMBL402932) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C17H12N6O2/c24-16(25)11-6-8-12(9-7-11)19-17-18-10-14-15(20-17)23(22-21-14)13-4-2-1-3-5-13/h1-10H,(H,24,25)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323649 (CHEMBL1209837 | N-(3-tert-butyl-5-cyanophenyl)-2-(...) Show SMILES CC(C)(C)c1cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(c1)C#N Show InChI InChI=1S/C29H31N3O4/c1-29(2,3)21-16-20(19-30)17-22(18-21)31-28(34)27(33)25-8-9-26(24-7-5-4-6-23(24)25)36-15-12-32-10-13-35-14-11-32/h4-9,16-18H,10-15H2,1-3H3,(H,31,34)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377231 (CHEMBL253748) Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20| Show InChI InChI=1S/C21H23N5O4/c27-19(28)15-1-3-16(4-2-15)23-20-22-11-17(26(29)30)18(24-20)25-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,27,28)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323654 (CHEMBL1208829 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of phospho-p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377252 (CHEMBL404175) Show SMILES OC(=O)CCc1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C23H27N5O4/c29-20(30)6-3-14-1-4-18(5-2-14)25-22-24-13-19(28(31)32)21(26-22)27-23-10-15-7-16(11-23)9-17(8-15)12-23/h1-2,4-5,13,15-17H,3,6-12H2,(H,29,30)(H2,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323662 (CHEMBL1208954 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(n3)N3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C32H35N5O7S/c1-32(2,3)20-18-24(29(42-4)25(19-20)36-45(5,40)41)34-30(39)28(38)23-10-11-26(22-9-7-6-8-21(22)23)44-27-12-13-33-31(35-27)37-14-16-43-17-15-37/h6-13,18-19,36H,14-17H2,1-5H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377248 (CHEMBL255905) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)| Show InChI InChI=1S/C21H29F3N4O2/c22-21(23,24)16-10-25-18(26-14-1-3-15(29)4-2-14)27-17(16)28-19-6-12-5-13(7-19)9-20(30,8-12)11-19/h10,12-15,29-30H,1-9,11H2,(H2,25,26,27,28)/t12?,13?,14-,15-,19?,20?	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323651 (CHEMBL1209839 | N-(5-tert-butyl-3-cyano-2-methoxyp...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C30H33N3O5/c1-30(2,3)21-17-20(19-31)28(36-4)25(18-21)32-29(35)27(34)24-9-10-26(23-8-6-5-7-22(23)24)38-16-13-33-11-14-37-15-12-33/h5-10,17-18H,11-16H2,1-4H3,(H,32,35)	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	42	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377241 (CHEMBL402932) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C17H12N6O2/c24-16(25)11-6-8-12(9-7-11)19-17-18-10-14-15(20-17)23(22-21-14)13-4-2-1-3-5-13/h1-10H,(H,24,25)(H,18,19,20)	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	49	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377253 (CHEMBL257575) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:21.23,19.20,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26| Show InChI InChI=1S/C21H22N6O3/c28-18(29)14-1-3-15(4-2-14)23-19-22-10-16-17(24-19)27(26-25-16)20-6-12-5-13(7-20)9-21(30,8-12)11-20/h1-4,10,12-13,30H,5-9,11H2,(H,28,29)(H,22,23,24)	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323661 (CHEMBL1208952 | N-(5-tert-butyl-3-cyano-2-methoxyp...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C29H26N4O3/c1-29(2,3)19-15-18(17-30)27(36-4)25(16-19)33-28(35)26(34)23-9-10-24(22-8-6-5-7-21(22)23)32-20-11-13-31-14-12-20/h5-16H,1-4H3,(H,31,32)(H,33,35)	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	51	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323654 (CHEMBL1208829 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323664 (CHEMBL1208956 | N-(5-tert-butyl-3-cyano-2-methoxyp...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3ccncc3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C29H25N3O3/c1-29(2,3)20-15-19(17-30)27(35-4)25(16-20)32-28(34)26(33)24-10-9-21(18-11-13-31-14-12-18)22-7-5-6-8-23(22)24/h5-16H,1-4H3,(H,32,34)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377248 (CHEMBL255905) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)| Show InChI InChI=1S/C21H29F3N4O2/c22-21(23,24)16-10-25-18(26-14-1-3-15(29)4-2-14)27-17(16)28-19-6-12-5-13(7-19)9-20(30,8-12)11-19/h10,12-15,29-30H,1-9,11H2,(H2,25,26,27,28)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377253 (CHEMBL257575) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:21.23,19.20,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26| Show InChI InChI=1S/C21H22N6O3/c28-18(29)14-1-3-15(4-2-14)23-19-22-10-16-17(24-19)27(26-25-16)20-6-12-5-13(7-20)9-21(30,8-12)11-20/h1-4,10,12-13,30H,5-9,11H2,(H,28,29)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323653 (CHEMBL1208828 | N-(5-tert-butyl-3-chloro-2-methoxy...) Show SMILES COc1c(Cl)cc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C29H33ClN2O5/c1-29(2,3)19-17-23(30)27(35-4)24(18-19)31-28(34)26(33)22-9-10-25(21-8-6-5-7-20(21)22)37-16-13-32-11-14-36-15-12-32/h5-10,17-18H,11-16H2,1-4H3,(H,31,34)	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	70	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323655 (5-tert-butyl-N-cyclopropyl-2-methoxy-3-(2-(4-(2-mo...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1C(=O)NC1CC1)C(C)(C)C Show InChI InChI=1S/C33H39N3O6/c1-33(2,3)21-19-26(31(38)34-22-9-10-22)30(40-4)27(20-21)35-32(39)29(37)25-11-12-28(24-8-6-5-7-23(24)25)42-18-15-36-13-16-41-17-14-36/h5-8,11-12,19-20,22H,9-10,13-18H2,1-4H3,(H,34,38)(H,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323659 (CHEMBL1208890 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C28H29N5O5S/c1-28(2,3)17-14-22(26(38-4)23(15-17)33-39(5,36)37)32-27(35)25(34)20-10-11-21(19-9-7-6-8-18(19)20)31-24-12-13-29-16-30-24/h6-16,33H,1-5H3,(H,32,35)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377236 (CHEMBL402969) Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377230 (CHEMBL257577) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C21H22N6O2/c28-19(29)15-1-3-16(4-2-15)23-20-22-11-17-18(24-20)27(26-25-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,28,29)(H,22,23,24)	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	75	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323663 (CHEMBL1208955 | N-(5-tert-butyl-3-cyano-2-methoxyp...) Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3cccnc3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C29H25N3O3/c1-29(2,3)20-14-19(16-30)27(35-4)25(15-20)32-28(34)26(33)24-12-11-21(18-8-7-13-31-17-18)22-9-5-6-10-23(22)24/h5-15,17H,1-4H3,(H,32,34)	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	78	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377230 (CHEMBL257577) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C21H22N6O2/c28-19(29)15-1-3-16(4-2-15)23-20-22-11-17-18(24-20)27(26-25-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,28,29)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50377236 (CHEMBL402969) Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora A				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50323658 (CHEMBL1208889 | N-(5-tert-butyl-2-methoxy-3-(methy...) Show SMILES COc1c(NC(=O)Cc2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C30H39N3O6S/c1-30(2,3)22-19-25(29(37-4)26(20-22)32-40(5,35)36)31-28(34)18-21-10-11-27(24-9-7-6-8-23(21)24)39-17-14-33-12-15-38-16-13-33/h6-11,19-20,32H,12-18H2,1-5H3,(H,31,34)	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	90	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of phospho-p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377247 (CHEMBL403385) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(Br)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(8.63,-27.96,;8.63,-26.42,;9.97,-25.64,;9.96,-24.1,;8.63,-23.34,;7.29,-24.11,;7.29,-25.65,;8.63,-21.8,;7.29,-21.03,;7.28,-19.48,;5.94,-18.72,;4.62,-19.49,;3.28,-18.72,;4.62,-21.03,;3.28,-21.8,;3.27,-23.34,;1.93,-23.82,;1.94,-25.31,;.74,-26.58,;2.24,-26.16,;3.65,-26.72,;4.66,-25.45,;6.2,-25.39,;3.26,-25.79,;4.67,-23.92,;2.23,-24.57,;5.95,-21.8,)| Show InChI InChI=1S/C20H29BrN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377236 (CHEMBL402969) Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)	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	92	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377251 (CHEMBL254350) Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:23.25,21.22,TLB:26:25:22.23.29:20,THB:24:25:22.23.29:20,28:25:22:29.19.20,28:19:22:27.24.25,26:25:22:29.19.20,TEB:24:23:20:27.25.28| Show InChI InChI=1S/C22H24N6O4/c29-18(30)11-32-16-3-1-15(2-4-16)24-20-23-10-17-19(25-20)28(27-26-17)21-6-13-5-14(7-21)9-22(31,8-13)12-21/h1-4,10,13-14,31H,5-9,11-12H2,(H,29,30)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377252 (CHEMBL404175) Show SMILES OC(=O)CCc1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C23H27N5O4/c29-20(30)6-3-14-1-4-18(5-2-14)25-22-24-13-19(28(31)32)21(26-22)27-23-10-15-7-16(11-23)9-17(8-15)12-23/h1-2,4-5,13,15-17H,3,6-12H2,(H,29,30)(H2,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50377237 (CHEMBL255735) Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-	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	112	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora A				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair

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