Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50006746   

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))	BDBM50503017 (CHEMBL4483032) Show SMILES NC(=O)c1nc(C2CC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H17N5O2/c17-14(22)15-20-12(8-1-2-8)13(21-15)10-5-6-18-11(7-10)19-16(23)9-3-4-9/h5-9H,1-4H2,(H2,17,22)(H,20,21)(H,18,19,23)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503009 (CHEMBL4526183) Show SMILES NC(=O)c1nc(C2CCCCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C19H23N5O2/c20-17(25)18-23-15(11-4-2-1-3-5-11)16(24-18)13-8-9-21-14(10-13)22-19(26)12-6-7-12/h8-12H,1-7H2,(H2,20,25)(H,23,24)(H,21,22,26)	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	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503015 (CHEMBL4457174) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(C)c1 Show InChI InChI=1S/C20H19FN4O/c1-11-9-14(5-6-16(11)21)18-19(24-12(2)23-18)15-7-8-22-17(10-15)25-20(26)13-3-4-13/h5-10,13H,3-4H2,1-2H3,(H,23,24)(H,22,25,26)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50502999 (CHEMBL4561980) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1O Show InChI InChI=1S/C19H18N4O2/c1-11-21-17(18(22-11)14-4-2-3-5-15(14)24)13-8-9-20-16(10-13)23-19(25)12-6-7-12/h2-5,8-10,12,24H,6-7H2,1H3,(H,21,22)(H,20,23,25)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503022 (CHEMBL4445449) Show SMILES Cc1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O Show InChI InChI=1S/C14H15N5O2/c1-7-11(19-13(17-7)12(15)20)9-4-5-16-10(6-9)18-14(21)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,15,20)(H,17,19)(H,16,18,21)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50502996 (CHEMBL4451444) Show SMILES OCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4O2/c20-14-5-3-11(4-6-14)17-18(23-16(10-25)22-17)13-7-8-21-15(9-13)24-19(26)12-1-2-12/h3-9,12,25H,1-2,10H2,(H,22,23)(H,21,24,26)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503011 (CHEMBL4461695) Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F4N5O2/c21-13-4-3-10(7-12(13)20(22,23)24)15-16(29-18(28-15)17(25)30)11-5-6-26-14(8-11)27-19(31)9-1-2-9/h3-9H,1-2H2,(H2,25,30)(H,28,29)(H,26,27,31)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50502994 (CHEMBL4474740) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C19H16F2N4O/c1-10-23-17(12-4-5-14(20)15(21)8-12)18(24-10)13-6-7-22-16(9-13)25-19(26)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,23,24)(H,22,25,26)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50502992 (CHEMBL4452444) Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H16FN5O2/c20-13-5-3-10(4-6-13)15-16(25-18(24-15)17(21)26)12-7-8-22-14(9-12)23-19(27)11-1-2-11/h3-9,11H,1-2H2,(H2,21,26)(H,24,25)(H,22,23,27)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ELISA				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503010 (CHEMBL4475312) Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1O Show InChI InChI=1S/C19H17N5O3/c20-17(26)18-23-15(16(24-18)12-3-1-2-4-13(12)25)11-7-8-21-14(9-11)22-19(27)10-5-6-10/h1-4,7-10,25H,5-6H2,(H2,20,26)(H,23,24)(H,21,22,27)	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
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50502997 (CHEMBL4514346) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1cccc(O)c1 Show InChI InChI=1S/C19H18N4O2/c1-11-21-17(13-3-2-4-15(24)9-13)18(22-11)14-7-8-20-16(10-14)23-19(25)12-5-6-12/h2-4,7-10,12,24H,5-6H2,1H3,(H,21,22)(H,20,23,25)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503004 (CHEMBL4518273) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H18N4O3/c1-11-22-18(13-4-5-15-16(8-13)27-10-26-15)19(23-11)14-6-7-21-17(9-14)24-20(25)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,22,23)(H,21,24,25)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503005 (CHEMBL4466208) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cnnn2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN8O/c1-12-23-18(13-2-4-15(20)5-3-13)19(24-12)14-6-8-21-16(10-14)25-17(29)7-9-28-11-22-26-27-28/h2-6,8,10-11H,7,9H2,1H3,(H,23,24)(H,21,25,29)	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
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50502992 (CHEMBL4452444) Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H16FN5O2/c20-13-5-3-10(4-6-13)15-16(25-18(24-15)17(21)26)12-7-8-22-14(9-12)23-19(27)11-1-2-11/h3-9,11H,1-2H2,(H2,21,26)(H,24,25)(H,22,23,27)	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
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50502995 (CHEMBL4557420) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18FN7O/c1-13-25-19(14-2-4-16(21)5-3-14)20(26-13)15-6-8-23-17(10-15)27-18(29)7-9-28-12-22-11-24-28/h2-6,8,10-12H,7,9H2,1H3,(H,25,26)(H,23,27,29)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50502997 (CHEMBL4514346) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1cccc(O)c1 Show InChI InChI=1S/C19H18N4O2/c1-11-21-17(13-3-2-4-15(24)9-13)18(22-11)14-7-8-20-16(10-14)23-19(25)12-5-6-12/h2-4,7-10,12,24H,5-6H2,1H3,(H,21,22)(H,20,23,25)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503019 (CHEMBL4564217) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c(nc1-c1ccc(F)cc1)C(N)=O Show InChI InChI=1S/C17H14FN5O2/c1-9(24)21-13-8-11(6-7-20-13)15-14(22-17(23-15)16(19)25)10-2-4-12(18)5-3-10/h2-8H,1H3,(H2,19,25)(H,22,23)(H,20,21,24)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503016 (CHEMBL4456432) Show SMILES NC(=O)c1ncc([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C13H13N5O2/c14-11(19)12-16-6-9(17-12)8-3-4-15-10(5-8)18-13(20)7-1-2-7/h3-7H,1-2H2,(H2,14,19)(H,16,17)(H,15,18,20)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503023 (CHEMBL4576003) Show SMILES Cc1nc(-c2cccs2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C17H16N4OS/c1-10-19-15(16(20-10)13-3-2-8-23-13)12-6-7-18-14(9-12)21-17(22)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,19,20)(H,18,21,22)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50502999 (CHEMBL4561980) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1O Show InChI InChI=1S/C19H18N4O2/c1-11-21-17(18(22-11)14-4-2-3-5-15(14)24)13-8-9-20-16(10-13)23-19(25)12-6-7-12/h2-5,8-10,12,24H,6-7H2,1H3,(H,21,22)(H,20,23,25)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50502994 (CHEMBL4474740) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C19H16F2N4O/c1-10-23-17(12-4-5-14(20)15(21)8-12)18(24-10)13-6-7-22-16(9-13)25-19(26)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,23,24)(H,22,25,26)	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	59	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503023 (CHEMBL4576003) Show SMILES Cc1nc(-c2cccs2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C17H16N4OS/c1-10-19-15(16(20-10)13-3-2-8-23-13)12-6-7-18-14(9-12)21-17(22)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,19,20)(H,18,21,22)	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503005 (CHEMBL4466208) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cnnn2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN8O/c1-12-23-18(13-2-4-15(20)5-3-13)19(24-12)14-6-8-21-16(10-14)25-17(29)7-9-28-11-22-26-27-28/h2-6,8,10-11H,7,9H2,1H3,(H,23,24)(H,21,25,29)	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	72	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503011 (CHEMBL4461695) Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F4N5O2/c21-13-4-3-10(7-12(13)20(22,23)24)15-16(29-18(28-15)17(25)30)11-5-6-26-14(8-11)27-19(31)9-1-2-9/h3-9H,1-2H2,(H2,25,30)(H,28,29)(H,26,27,31)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503013 (CHEMBL4435496) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H20N4O/c1-14-25-21(18-9-6-15-4-2-3-5-17(15)12-18)22(26-14)19-10-11-24-20(13-19)27-23(28)16-7-8-16/h2-6,9-13,16H,7-8H2,1H3,(H,25,26)(H,24,27,28)	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	81	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50502995 (CHEMBL4557420) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18FN7O/c1-13-25-19(14-2-4-16(21)5-3-14)20(26-13)15-6-8-23-17(10-15)27-18(29)7-9-28-12-22-11-24-28/h2-6,8,10-12H,7,9H2,1H3,(H,25,26)(H,23,27,29)	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	82	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503008 (CHEMBL4518634) Show SMILES CCOC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H19FN4O3/c1-2-29-21(28)19-25-17(12-5-7-15(22)8-6-12)18(26-19)14-9-10-23-16(11-14)24-20(27)13-3-4-13/h5-11,13H,2-4H2,1H3,(H,25,26)(H,23,24,27)	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	89	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50502996 (CHEMBL4451444) Show SMILES OCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4O2/c20-14-5-3-11(4-6-14)17-18(23-16(10-25)22-17)13-7-8-21-15(9-13)24-19(26)12-1-2-12/h3-9,12,25H,1-2,10H2,(H,22,23)(H,21,24,26)	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	91	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503000 (CHEMBL4460515) Show SMILES Cc1nc(-c2ccco2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C17H16N4O2/c1-10-19-15(16(20-10)13-3-2-8-23-13)12-6-7-18-14(9-12)21-17(22)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,19,20)(H,18,21,22)	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	99	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503019 (CHEMBL4564217) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c(nc1-c1ccc(F)cc1)C(N)=O Show InChI InChI=1S/C17H14FN5O2/c1-9(24)21-13-8-11(6-7-20-13)15-14(22-17(23-15)16(19)25)10-2-4-12(18)5-3-10/h2-8H,1H3,(H2,19,25)(H,22,23)(H,20,21,24)	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	117	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503015 (CHEMBL4457174) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(C)c1 Show InChI InChI=1S/C20H19FN4O/c1-11-9-14(5-6-16(11)21)18-19(24-12(2)23-18)15-7-8-22-17(10-15)25-20(26)13-3-4-13/h5-10,13H,3-4H2,1-2H3,(H,23,24)(H,22,25,26)	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	117	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503010 (CHEMBL4475312) Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1O Show InChI InChI=1S/C19H17N5O3/c20-17(26)18-23-15(16(24-18)12-3-1-2-4-13(12)25)11-7-8-21-14(9-11)22-19(27)10-5-6-10/h1-4,7-10,25H,5-6H2,(H2,20,26)(H,23,24)(H,21,22,27)	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	158	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503018 (CHEMBL4456961) Show SMILES COc1ccccc1-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O Show InChI InChI=1S/C20H19N5O3/c1-28-14-5-3-2-4-13(14)17-16(24-19(25-17)18(21)26)12-8-9-22-15(10-12)23-20(27)11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H2,21,26)(H,24,25)(H,22,23,27)	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	265	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503012 (CHEMBL4529679) Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C20H16F3N5O3/c21-20(22,23)31-13-3-1-2-11(8-13)15-16(28-18(27-15)17(24)29)12-6-7-25-14(9-12)26-19(30)10-4-5-10/h1-3,6-10H,4-5H2,(H2,24,29)(H,27,28)(H,25,26,30)	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	352	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50502993 (CHEMBL4439815) Show SMILES NC(=O)c1ncc([nH]1)-c1cc(NC(=O)C2CC2)ncc1Br Show InChI InChI=1S/C13H12BrN5O2/c14-8-4-16-10(19-13(21)6-1-2-6)3-7(8)9-5-17-12(18-9)11(15)20/h3-6H,1-2H2,(H2,15,20)(H,17,18)(H,16,19,21)	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	354	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503004 (CHEMBL4518273) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H18N4O3/c1-11-22-18(13-4-5-15-16(8-13)27-10-26-15)19(23-11)14-6-7-21-17(9-14)24-20(25)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,22,23)(H,21,24,25)	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	467	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503001 (CHEMBL4586627) Show SMILES COc1ccccc1-c1nc(C)[nH]c1-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C20H20N4O2/c1-12-22-18(19(23-12)15-5-3-4-6-16(15)26-2)14-9-10-21-17(11-14)24-20(25)13-7-8-13/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,23)(H,21,24,25)	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	504	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503007 (CHEMBL4446123) Show SMILES CCOC(=O)c1ncc([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C15H16N4O3/c1-2-22-15(21)13-17-8-11(18-13)10-5-6-16-12(7-10)19-14(20)9-3-4-9/h5-9H,2-4H2,1H3,(H,17,18)(H,16,19,20)	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	739	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503020 (CHEMBL4453072) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H18N4O2/c1-11-21-17(12-4-6-15(24)7-5-12)18(22-11)14-8-9-20-16(10-14)23-19(25)13-2-3-13/h4-10,13,24H,2-3H2,1H3,(H,21,22)(H,20,23,25)	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	893	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503008 (CHEMBL4518634) Show SMILES CCOC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H19FN4O3/c1-2-29-21(28)19-25-17(12-5-7-15(22)8-6-12)18(26-19)14-9-10-23-16(11-14)24-20(27)13-3-4-13/h5-11,13H,2-4H2,1H3,(H,25,26)(H,23,24,27)	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	899	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503000 (CHEMBL4460515) Show SMILES Cc1nc(-c2ccco2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C17H16N4O2/c1-10-19-15(16(20-10)13-3-2-8-23-13)12-6-7-18-14(9-12)21-17(22)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,19,20)(H,18,21,22)	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	987	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503020 (CHEMBL4453072) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H18N4O2/c1-11-21-17(12-4-6-15(24)7-5-12)18(22-11)14-8-9-20-16(10-14)23-19(25)13-2-3-13/h4-10,13,24H,2-3H2,1H3,(H,21,22)(H,20,23,25)	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	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503012 (CHEMBL4529679) Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C20H16F3N5O3/c21-20(22,23)31-13-3-1-2-11(8-13)15-16(28-18(27-15)17(24)29)12-6-7-25-14(9-12)26-19(30)10-4-5-10/h1-3,6-10H,4-5H2,(H2,24,29)(H,27,28)(H,25,26,30)	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	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503018 (CHEMBL4456961) Show SMILES COc1ccccc1-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O Show InChI InChI=1S/C20H19N5O3/c1-28-14-5-3-2-4-13(14)17-16(24-19(25-17)18(21)26)12-8-9-22-15(10-12)23-20(27)11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H2,21,26)(H,24,25)(H,22,23,27)	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	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503014 (CHEMBL4584996) Show SMILES Cc1nc(C2CC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H18N4O/c1-9-18-14(10-2-3-10)15(19-9)12-6-7-17-13(8-12)20-16(21)11-4-5-11/h6-8,10-11H,2-5H2,1H3,(H,18,19)(H,17,20,21)	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	3.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50502998 (CHEMBL4444424) Show SMILES Cc1nc(C2CCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C17H20N4O/c1-10-19-15(11-3-2-4-11)16(20-10)13-7-8-18-14(9-13)21-17(22)12-5-6-12/h7-9,11-12H,2-6H2,1H3,(H,19,20)(H,18,21,22)	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	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503024 (CHEMBL4517450) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cnnn2)c1)-c1ccccc1 Show InChI InChI=1S/C19H18N8O/c1-13-22-18(14-5-3-2-4-6-14)19(23-13)15-7-9-20-16(11-15)24-17(28)8-10-27-12-21-25-26-27/h2-7,9,11-12H,8,10H2,1H3,(H,22,23)(H,20,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503021 (CHEMBL4475448) Show SMILES Cc1nc(C2CCCCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C19H24N4O/c1-12-21-17(13-5-3-2-4-6-13)18(22-12)15-9-10-20-16(11-15)23-19(24)14-7-8-14/h9-11,13-14H,2-8H2,1H3,(H,21,22)(H,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503006 (CHEMBL4575716) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccccc1 Show InChI InChI=1S/C20H19N7O/c1-14-24-19(15-5-3-2-4-6-15)20(25-14)16-7-9-22-17(11-16)26-18(28)8-10-27-13-21-12-23-27/h2-7,9,11-13H,8,10H2,1H3,(H,24,25)(H,22,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503003 (CHEMBL4575638) Show SMILES Cc1nc(C2CCCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C18H22N4O/c1-11-20-16(12-4-2-3-5-12)17(21-11)14-8-9-19-15(10-14)22-18(23)13-6-7-13/h8-10,12-13H,2-7H2,1H3,(H,20,21)(H,19,22,23)	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	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair

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