Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50018365   

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 8 (Homo sapiens (Human))	BDBM50194901 (CHEMBL220504 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CC(C)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H20N4O4S/c1-11(2)26-18-14(9-19)15(20)8-16(22-18)17(23)21-10-12-4-6-13(7-5-12)27(3,24)25/h4-8,11H,10H2,1-3H3,(H2,20,22)(H,21,23)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194868 ((S)-N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6...) Show SMILES C[C@@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21N5O4S/c1-11(10-24)22-17-14(8-19)15(20)7-16(23-17)18(25)21-9-12-3-5-13(6-4-12)28(2,26)27/h3-7,11,24H,9-10H2,1-2H3,(H,21,25)(H3,20,22,23)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194856 (CHEMBL374269 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCC3CC3)n2)cc1 Show InChI InChI=1S/C19H20N4O4S/c1-28(25,26)14-6-4-12(5-7-14)10-22-18(24)17-8-16(21)15(9-20)19(23-17)27-11-13-2-3-13/h4-8,13H,2-3,10-11H2,1H3,(H2,21,23)(H,22,24)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194868 ((S)-N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6...) Show SMILES C[C@@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21N5O4S/c1-11(10-24)22-17-14(8-19)15(20)7-16(23-17)18(25)21-9-12-3-5-13(6-4-12)28(2,26)27/h3-7,11,24H,9-10H2,1-2H3,(H,21,25)(H3,20,22,23)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194875 (CHEMBL220658 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C18H19N5O3S/c1-27(25,26)13-6-2-11(3-7-13)10-21-18(24)16-8-15(20)14(9-19)17(23-16)22-12-4-5-12/h2-3,6-8,12H,4-5,10H2,1H3,(H,21,24)(H3,20,22,23)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194901 (CHEMBL220504 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CC(C)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H20N4O4S/c1-11(2)26-18-14(9-19)15(20)8-16(22-18)17(23)21-10-12-4-6-13(7-5-12)27(3,24)25/h4-8,11H,10H2,1-3H3,(H2,20,22)(H,21,23)	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194890 (CHEMBL374193 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(c2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H20N4O5S2/c1-32(28,29)16-8-6-14(7-9-16)13-25-22(27)20-11-19(24)18(12-23)21(26-20)15-4-3-5-17(10-15)33(2,30)31/h3-11H,13H2,1-2H3,(H2,24,26)(H,25,27)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194856 (CHEMBL374269 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCC3CC3)n2)cc1 Show InChI InChI=1S/C19H20N4O4S/c1-28(25,26)14-6-4-12(5-7-14)10-22-18(24)17-8-16(21)15(9-20)19(23-17)27-11-13-2-3-13/h4-8,13H,2-3,10-11H2,1H3,(H2,21,23)(H,22,24)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194886 (CHEMBL221126 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES C\C=C\c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N4O3S/c1-3-4-16-14(10-19)15(20)9-17(22-16)18(23)21-11-12-5-7-13(8-6-12)26(2,24)25/h3-9H,11H2,1-2H3,(H2,20,22)(H,21,23)/b4-3+	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194873 (CHEMBL434560 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCCO)n2)cc1 Show InChI InChI=1S/C18H21N5O4S/c1-28(26,27)13-5-3-12(4-6-13)11-22-18(25)16-9-15(20)14(10-19)17(23-16)21-7-2-8-24/h3-6,9,24H,2,7-8,11H2,1H3,(H,22,25)(H3,20,21,23)	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	54	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194869 (CHEMBL386010 | N-(4-(methylsulfonyl)benzyl)-6-(2-a...) Show SMILES CC(=O)NCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22N6O4S/c1-12(26)22-7-8-23-18-15(10-20)16(21)9-17(25-18)19(27)24-11-13-3-5-14(6-4-13)30(2,28)29/h3-6,9H,7-8,11H2,1-2H3,(H,22,26)(H,24,27)(H3,21,23,25)	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	59	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194872 (CHEMBL221315 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCC(N)=O)n2)cc1 Show InChI InChI=1S/C18H20N6O4S/c1-29(27,28)12-4-2-11(3-5-12)10-23-18(26)15-8-14(20)13(9-19)17(24-15)22-7-6-16(21)25/h2-5,8H,6-7,10H2,1H3,(H2,21,25)(H,23,26)(H3,20,22,24)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194865 (CHEMBL218194 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CC(C)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H21N5O3S/c1-11(2)22-17-14(9-19)15(20)8-16(23-17)18(24)21-10-12-4-6-13(7-5-12)27(3,25)26/h4-8,11H,10H2,1-3H3,(H,21,24)(H3,20,22,23)	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	67	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194875 (CHEMBL220658 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C18H19N5O3S/c1-27(25,26)13-6-2-11(3-7-13)10-21-18(24)16-8-15(20)14(9-19)17(23-16)22-12-4-5-12/h2-3,6-8,12H,4-5,10H2,1H3,(H,21,24)(H3,20,22,23)	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194891 (CHEMBL384219 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC(CO)CO)n2)cc1 Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)13-4-2-11(3-5-13)8-21-18(26)16-6-15(20)14(7-19)17(23-16)22-12(9-24)10-25/h2-6,12,24-25H,8-10H2,1H3,(H,21,26)(H3,20,22,23)	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	76	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194858 (CHEMBL221128 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CCOc1nc(cc(N)c1\C=C\C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H21N3O4S/c1-4-6-7-16-17(21)12-18(23-20(16)27-5-2)19(24)22-13-14-8-10-15(11-9-14)28(3,25)26/h1,6-12H,5,13H2,2-3H3,(H2,21,23)(H,22,24)/b7-6+	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	79	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194908 (CHEMBL219112 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2)cc1 Show InChI InChI=1S/C19H16N4O3S2/c1-28(25,26)14-4-2-12(3-5-14)10-22-19(24)17-8-16(21)15(9-20)18(23-17)13-6-7-27-11-13/h2-8,11H,10H2,1H3,(H2,21,23)(H,22,24)	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	81	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194869 (CHEMBL386010 | N-(4-(methylsulfonyl)benzyl)-6-(2-a...) Show SMILES CC(=O)NCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22N6O4S/c1-12(26)22-7-8-23-18-15(10-20)16(21)9-17(25-18)19(27)24-11-13-3-5-14(6-4-13)30(2,28)29/h3-6,9H,7-8,11H2,1-2H3,(H,22,26)(H,24,27)(H3,21,23,25)	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	81	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194865 (CHEMBL218194 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CC(C)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H21N5O3S/c1-11(2)22-17-14(9-19)15(20)8-16(23-17)18(24)21-10-12-4-6-13(7-5-12)27(3,25)26/h4-8,11H,10H2,1-3H3,(H,21,24)(H3,20,22,23)	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	84	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194870 (CHEMBL221229 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCC3)n2)cc1 Show InChI InChI=1S/C19H21N5O3S/c1-28(26,27)14-7-5-12(6-8-14)11-22-19(25)17-9-16(21)15(10-20)18(24-17)23-13-3-2-4-13/h5-9,13H,2-4,11H2,1H3,(H,22,25)(H3,21,23,24)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194872 (CHEMBL221315 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCC(N)=O)n2)cc1 Show InChI InChI=1S/C18H20N6O4S/c1-29(27,28)12-4-2-11(3-5-12)10-23-18(26)15-8-14(20)13(9-19)17(24-15)22-7-6-16(21)25/h2-5,8H,6-7,10H2,1H3,(H2,21,25)(H,23,26)(H3,20,22,24)	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	87	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194896 (CHEMBL218658 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CC(C)COc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22N4O4S/c1-12(2)11-27-19-15(9-20)16(21)8-17(23-19)18(24)22-10-13-4-6-14(7-5-13)28(3,25)26/h4-8,12H,10-11H2,1-3H3,(H2,21,23)(H,22,24)	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	88	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194859 (1-(2-(6-((4-(methylsulfonyl)benzyl)carbamoyl)-4-am...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCNC(N)=O)n2)cc1 Show InChI InChI=1S/C18H21N7O4S/c1-30(28,29)12-4-2-11(3-5-12)10-24-17(26)15-8-14(20)13(9-19)16(25-15)22-6-7-23-18(21)27/h2-5,8H,6-7,10H2,1H3,(H,24,26)(H3,20,22,25)(H3,21,23,27)	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	93	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194874 (CHEMBL218219 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCO)n2)cc1 Show InChI InChI=1S/C17H19N5O4S/c1-27(25,26)12-4-2-11(3-5-12)10-21-17(24)15-8-14(19)13(9-18)16(22-15)20-6-7-23/h2-5,8,23H,6-7,10H2,1H3,(H,21,24)(H3,19,20,22)	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	93	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194904 (CHEMBL375795 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C20H23N5O3S/c1-29(27,28)15-8-6-13(7-9-15)12-23-20(26)18-10-17(22)16(11-21)19(25-18)24-14-4-2-3-5-14/h6-10,14H,2-5,12H2,1H3,(H,23,26)(H3,22,24,25)	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194890 (CHEMBL374193 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(c2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H20N4O5S2/c1-32(28,29)16-8-6-14(7-9-16)13-25-22(27)20-11-19(24)18(12-23)21(26-20)15-4-3-5-17(10-15)33(2,30)31/h3-11H,13H2,1-2H3,(H2,24,26)(H,25,27)	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194891 (CHEMBL384219 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC(CO)CO)n2)cc1 Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)13-4-2-11(3-5-13)8-21-18(26)16-6-15(20)14(7-19)17(23-16)22-12(9-24)10-25/h2-6,12,24-25H,8-10H2,1H3,(H,21,26)(H3,20,22,23)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194903 (CHEMBL384951 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES COCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H21N5O4S/c1-27-8-7-21-17-14(10-19)15(20)9-16(23-17)18(24)22-11-12-3-5-13(6-4-12)28(2,25)26/h3-6,9H,7-8,11H2,1-2H3,(H,22,24)(H3,20,21,23)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194882 (CHEMBL220812 | N6-(4-(methylsulfonyl)benzyl)-4-ami...) Show SMILES CC(C)NC(=O)c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H21N5O4S/c1-11(2)23-19(26)17-14(9-20)15(21)8-16(24-17)18(25)22-10-12-4-6-13(7-5-12)29(3,27)28/h4-8,11H,10H2,1-3H3,(H2,21,24)(H,22,25)(H,23,26)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194900 (CHEMBL218657 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES C\C=C/c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N4O3S/c1-3-4-16-14(10-19)15(20)9-17(22-16)18(23)21-11-12-5-7-13(8-6-12)26(2,24)25/h3-9H,11H2,1-2H3,(H2,20,22)(H,21,23)/b4-3-	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194874 (CHEMBL218219 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCO)n2)cc1 Show InChI InChI=1S/C17H19N5O4S/c1-27(25,26)12-4-2-11(3-5-12)10-21-17(24)15-8-14(19)13(9-18)16(22-15)20-6-7-23/h2-5,8,23H,6-7,10H2,1H3,(H,21,24)(H3,19,20,22)	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194870 (CHEMBL221229 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCC3)n2)cc1 Show InChI InChI=1S/C19H21N5O3S/c1-28(26,27)14-7-5-12(6-8-14)11-22-19(25)17-9-16(21)15(10-20)18(24-17)23-13-3-2-4-13/h5-9,13H,2-4,11H2,1H3,(H,22,25)(H3,21,23,24)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194871 (5-(6-((4-(methylsulfonyl)benzyl)carbamoyl)-4-amino...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccc(s2)C(O)=O)cc1 Show InChI InChI=1S/C20H16N4O5S2/c1-31(28,29)12-4-2-11(3-5-12)10-23-19(25)15-8-14(22)13(9-21)18(24-15)16-6-7-17(30-16)20(26)27/h2-8H,10H2,1H3,(H2,22,24)(H,23,25)(H,26,27)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194905 (CHEMBL218141 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\CCO)n2)cc1 Show InChI InChI=1S/C19H20N4O4S/c1-28(26,27)14-7-5-13(6-8-14)12-22-19(25)18-10-16(21)15(11-20)17(23-18)4-2-3-9-24/h2,4-8,10,24H,3,9,12H2,1H3,(H2,21,23)(H,22,25)/b4-2+	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	170	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194879 ((R)-N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6...) Show SMILES C[C@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H21N5O4S/c1-11(10-24)22-17-14(8-19)15(20)7-16(23-17)18(25)21-9-12-3-5-13(6-4-12)28(2,26)27/h3-7,11,24H,9-10H2,1-2H3,(H,21,25)(H3,20,22,23)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194873 (CHEMBL434560 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCCO)n2)cc1 Show InChI InChI=1S/C18H21N5O4S/c1-28(26,27)13-5-3-12(4-6-13)11-22-18(25)16-9-15(20)14(10-19)17(23-16)21-7-2-8-24/h3-6,9,24H,2,7-8,11H2,1H3,(H,22,25)(H3,20,21,23)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194860 (CHEMBL221745 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(O)c2)cc1 Show InChI InChI=1S/C21H18N4O4S/c1-30(28,29)16-7-5-13(6-8-16)12-24-21(27)19-10-18(23)17(11-22)20(25-19)14-3-2-4-15(26)9-14/h2-10,26H,12H2,1H3,(H2,23,25)(H,24,27)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194903 (CHEMBL384951 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES COCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H21N5O4S/c1-27-8-7-21-17-14(10-19)15(20)9-16(23-17)18(24)22-11-12-3-5-13(6-4-12)28(2,25)26/h3-6,9H,7-8,11H2,1-2H3,(H,22,24)(H3,20,21,23)	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	210	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194886 (CHEMBL221126 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES C\C=C\c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N4O3S/c1-3-4-16-14(10-19)15(20)9-17(22-16)18(23)21-11-12-5-7-13(8-6-12)26(2,24)25/h3-9H,11H2,1-2H3,(H2,20,22)(H,21,23)/b4-3+	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194860 (CHEMBL221745 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(O)c2)cc1 Show InChI InChI=1S/C21H18N4O4S/c1-30(28,29)16-7-5-13(6-8-16)12-24-21(27)19-10-18(23)17(11-22)20(25-19)14-3-2-4-15(26)9-14/h2-10,26H,12H2,1H3,(H2,23,25)(H,24,27)	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194905 (CHEMBL218141 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\CCO)n2)cc1 Show InChI InChI=1S/C19H20N4O4S/c1-28(26,27)14-7-5-13(6-8-14)12-22-19(25)18-10-16(21)15(11-20)17(23-18)4-2-3-9-24/h2,4-8,10,24H,3,9,12H2,1H3,(H2,21,23)(H,22,25)/b4-2+	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194871 (5-(6-((4-(methylsulfonyl)benzyl)carbamoyl)-4-amino...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccc(s2)C(O)=O)cc1 Show InChI InChI=1S/C20H16N4O5S2/c1-31(28,29)12-4-2-11(3-5-12)10-23-19(25)15-8-14(22)13(9-21)18(24-15)16-6-7-17(30-16)20(26)27/h2-8H,10H2,1H3,(H2,22,24)(H,23,25)(H,26,27)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194877 (CHEMBL220758 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCc3ccccc3)n2)cc1 Show InChI InChI=1S/C23H23N5O3S/c1-32(30,31)18-9-7-17(8-10-18)15-27-23(29)21-13-20(25)19(14-24)22(28-21)26-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,15H2,1H3,(H,27,29)(H3,25,26,28)	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194900 (CHEMBL218657 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES C\C=C/c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N4O3S/c1-3-4-16-14(10-19)15(20)9-17(22-16)18(23)21-11-12-5-7-13(8-6-12)26(2,24)25/h3-9H,11H2,1-2H3,(H2,20,22)(H,21,23)/b4-3-	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194897 (CHEMBL387253 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccoc2)cc1 Show InChI InChI=1S/C19H16N4O4S/c1-28(25,26)14-4-2-12(3-5-14)10-22-19(24)17-8-16(21)15(9-20)18(23-17)13-6-7-27-11-13/h2-8,11H,10H2,1H3,(H2,21,23)(H,22,24)	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	270	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194904 (CHEMBL375795 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C20H23N5O3S/c1-29(27,28)15-8-6-13(7-9-15)12-23-20(26)18-10-17(22)16(11-21)19(25-18)24-14-4-2-3-5-14/h6-10,14H,2-5,12H2,1H3,(H,23,26)(H3,22,24,25)	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	290	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194878 (3-(6-((4-(methylsulfonyl)benzyl)carbamoyl)-4-amino...) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\C(O)=O)n2)cc1 Show InChI InChI=1S/C18H16N4O5S/c1-28(26,27)12-4-2-11(3-5-12)10-21-18(25)16-8-14(20)13(9-19)15(22-16)6-7-17(23)24/h2-8H,10H2,1H3,(H2,20,22)(H,21,25)(H,23,24)/b7-6+	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194902 (CHEMBL383994 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CCOc1nc(cc(N)c1C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H19N3O4S/c1-4-14-15(19)10-16(21-18(14)25-5-2)17(22)20-11-12-6-8-13(9-7-12)26(3,23)24/h1,6-10H,5,11H2,2-3H3,(H2,19,21)(H,20,22)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50194858 (CHEMBL221128 | N-(4-(methylsulfonyl)benzyl)-4-amin...) Show SMILES CCOc1nc(cc(N)c1\C=C\C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H21N3O4S/c1-4-6-7-16-17(21)12-18(23-20(16)27-5-2)19(24)22-13-14-8-10-15(11-9-14)28(3,25)26/h1,6-12H,5,13H2,2-3H3,(H2,21,23)(H,22,24)/b7-6+	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK2 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50194880 (CHEMBL221179 | N2-(4-(methylsulfonyl)benzyl)-4-ami...) Show SMILES CCOc1nc(cc(N)c1C(N)=O)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H20N4O5S/c1-3-26-17-14(15(19)22)12(18)8-13(21-17)16(23)20-9-10-4-6-11(7-5-10)27(2,24)25/h4-8H,3,9H2,1-2H3,(H2,18,21)(H2,19,22)(H,20,23)	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	318	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1 by ATF2 phosphorylation assay				Bioorg Med Chem Lett 16: 5723-30 (2006) Article DOI: 10.1016/j.bmcl.2006.08.097 BindingDB Entry DOI: 10.7270/Q28G8KBG
					More data for this Ligand-Target Pair

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