Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 3083   

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))	BDBM27783 (2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piper...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27812 (2-{[2-({1-[2-(dimethylamino)ethyl]-5-methoxy-2,3-d...) Show SMILES COc1cc2CCN(CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C26H29FN8O2/c1-34(2)11-12-35-10-8-15-13-21(37-3)19(14-20(15)35)31-26-32-24-16(7-9-29-24)25(33-26)30-18-6-4-5-17(27)22(18)23(28)36/h4-7,9,13-14H,8,10-12H2,1-3H3,(H2,28,36)(H3,29,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27810 (2-fluoro-6-{[2-({5-methoxy-1-[3-(morpholin-4-yl)pr...) Show SMILES COc1cc2CCN(C(=O)CCN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C29H31FN8O4/c1-41-23-15-17-6-10-38(24(39)7-9-37-11-13-42-14-12-37)22(17)16-21(23)34-29-35-27-18(5-8-32-27)28(36-29)33-20-4-2-3-19(30)25(20)26(31)40/h2-5,8,15-16H,6-7,9-14H2,1H3,(H2,31,40)(H3,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27809 (2-{[2-({1-[3-(dimethylamino)propanoyl]-5-methoxy-2...) Show SMILES COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C27H29FN8O3/c1-35(2)11-9-22(37)36-12-8-15-13-21(39-3)19(14-20(15)36)32-27-33-25-16(7-10-30-25)26(34-27)31-18-6-4-5-17(28)23(18)24(29)38/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27808 (2-fluoro-6-({2-[(5-methoxy-1-{2-[4-(propan-2-yl)pi...) Show SMILES COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C31H36FN9O3/c1-18(2)40-13-11-39(12-14-40)17-26(42)41-10-8-19-15-25(44-3)23(16-24(19)41)36-31-37-29-20(7-9-34-29)30(38-31)35-22-6-4-5-21(32)27(22)28(33)43/h4-7,9,15-16,18H,8,10-14,17H2,1-3H3,(H2,33,43)(H3,34,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27811 (2-fluoro-6-({2-[(5-methoxy-1-{3-[4-(propan-2-yl)pi...) Show SMILES COc1cc2CCN(C(=O)CCN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C32H38FN9O3/c1-19(2)41-15-13-40(14-16-41)11-9-27(43)42-12-8-20-17-26(45-3)24(18-25(20)42)37-32-38-30-21(7-10-35-30)31(39-32)36-23-6-4-5-22(33)28(23)29(34)44/h4-7,10,17-19H,8-9,11-16H2,1-3H3,(H2,34,44)(H3,35,36,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27815 (2-fluoro-6-{[2-({6-methoxy-1-[2-(piperidin-1-yl)ac...) Show SMILES COc1cc2CCCN(C(=O)CN3CCCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C30H33FN8O3/c1-42-24-15-18-7-6-14-39(25(40)17-38-12-3-2-4-13-38)23(18)16-22(24)35-30-36-28-19(10-11-33-28)29(37-30)34-21-9-5-8-20(31)26(21)27(32)41/h5,8-11,15-16H,2-4,6-7,12-14,17H2,1H3,(H2,32,41)(H3,33,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27784 (2-fluoro-6-{[2-({2-methoxy-5-[4-(propan-2-yl)piper...) Show SMILES COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-22(38-3)21(15-17)32-27-33-25-18(9-10-30-25)26(34-27)31-20-6-4-5-19(28)23(20)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27785 (2-fluoro-6-{[2-({2-methoxy-4-methyl-5-[4-(propan-2...) Show SMILES COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C28H33FN8O2/c1-16(2)36-10-12-37(13-11-36)22-15-21(23(39-4)14-17(22)3)33-28-34-26-18(8-9-31-26)27(35-28)32-20-7-5-6-19(29)24(20)25(30)38/h5-9,14-16H,10-13H2,1-4H3,(H2,30,38)(H3,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27817 (2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...) Show SMILES CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12 Show InChI InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27814 (2-{[2-({1-[2-(dimethylamino)acetyl]-6-methoxy-1,2,...) Show SMILES COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C27H29FN8O3/c1-35(2)14-22(37)36-11-5-6-15-12-21(39-3)19(13-20(15)36)32-27-33-25-16(9-10-30-25)26(34-27)31-18-8-4-7-17(28)23(18)24(29)38/h4,7-10,12-13H,5-6,11,14H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27813 (2-({2-[(1-acetyl-6-methoxy-1,2,3,4-tetrahydroquino...) Show SMILES COc1cc2CCCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C25H24FN7O3/c1-13(34)33-10-4-5-14-11-20(36-2)18(12-19(14)33)30-25-31-23-15(8-9-28-23)24(32-25)29-17-7-3-6-16(26)21(17)22(27)35/h3,6-9,11-12H,4-5,10H2,1-2H3,(H2,27,35)(H3,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM27816 (2-{[2-({1-[3-(dimethylamino)propanoyl]-6-methoxy-1...) Show SMILES COc1cc2CCCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C28H31FN8O3/c1-36(2)13-10-23(38)37-12-5-6-16-14-22(40-3)20(15-21(16)37)33-28-34-26-17(9-11-31-26)27(35-28)32-19-8-4-7-18(29)24(19)25(30)39/h4,7-9,11,14-15H,5-6,10,12-13H2,1-3H3,(H2,30,39)(H3,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...				Bioorg Med Chem Lett 19: 360-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.077 BindingDB Entry DOI: 10.7270/Q2NZ85ZT
					More data for this Ligand-Target Pair