Compile Data Set for Download or QSAR

Found 19 hits of ph data with Target = 'Mitogen-activated protein kinase 9'   

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 9 (Homo sapiens (Human))	BDBM15869 (6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)-1H...) Show SMILES Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(F)(F)F Show InChI InChI=1S/C12H7ClF3N3O2/c1-18-11-8(10(17-18)12(14,15)16)9(20)6-4-5(13)2-3-7(6)19(11)21/h2-4,21H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.2	20
Abbott Laboratories					Assay Description In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...				Bioorg Med Chem Lett 16: 2590-4 (2006) Article DOI: 10.1016/j.bmcl.2006.02.046 BindingDB Entry DOI: 10.7270/Q2XK8CSR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM15868 (6-chloro-9-hydroxy-1,3-dimethyl-1H,4H,9H-pyrazolo[...) Show SMILES Cc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12 Show InChI InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.2	20
Abbott Laboratories					Assay Description In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...				Bioorg Med Chem Lett 16: 2590-4 (2006) Article DOI: 10.1016/j.bmcl.2006.02.046 BindingDB Entry DOI: 10.7270/Q2XK8CSR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM31085 (1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	56	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM21079 (1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...) Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	240	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	130	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM13531 (4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...) Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	210	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PCBioAssay	n/a	n/a	n/a	7.30	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104971 (US8569306, 8) Show SMILES CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:8.11,wD:5.4,(-2.41,-5,;-3.75,-4.23,;-5.08,-5,;-6.41,-4.23,;-7.75,-5,;-6.41,-2.69,;-5.08,-1.93,;-5.08,-.38,;-6.41,.38,;-7.75,-.38,;-7.75,-1.93,;-6.41,1.93,;-5.08,2.69,;-5.08,4.23,;-3.75,5,;-2.41,4.23,;-2.41,2.69,;-3.75,1.93,;-1.08,1.93,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;2.19,-2,;3.28,-.91,;4.77,-1.31,;5.17,-2.79,;6.66,-3.19,;7.75,-2.1,;7.35,-.62,;5.86,-.22,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,)| Show InChI InChI=1S/C27H29N5O3/c1-2-34-26(33)20-10-12-21(13-11-20)30-27-28-15-14-22(31-27)23-17-29-25-24(9-6-16-32(23)25)35-18-19-7-4-3-5-8-19/h3-9,14-17,20-21H,2,10-13,18H2,1H3,(H,28,30,31)/t20-,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	104	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104972 (US8569306, 9) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:4.7,wD:1.0,(-6.41,-4.62,;-6.41,-3.08,;-5.08,-2.31,;-5.08,-.77,;-6.41,,;-7.75,-.77,;-7.75,-2.31,;-6.41,1.54,;-5.08,2.31,;-5.08,3.85,;-3.75,4.62,;-2.41,3.85,;-2.41,2.31,;-3.75,1.54,;-1.08,1.54,;.39,2.02,;1.29,.77,;.39,-.48,;.71,-1.98,;2.19,-2.38,;3.28,-1.29,;4.77,-1.69,;5.17,-3.18,;6.66,-3.58,;7.75,-2.49,;7.35,-1,;5.86,-.6,;-.44,-3.01,;-1.9,-2.54,;-2.22,-1.03,;-1.08,,)| Show InChI InChI=1S/C24H25N5O2/c30-19-10-8-18(9-11-19)27-24-25-13-12-20(28-24)21-15-26-23-22(7-4-14-29(21)23)31-16-17-5-2-1-3-6-17/h1-7,12-15,18-19,30H,8-11,16H2,(H,25,27,28)/t18-,19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49.4	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104973 (US8569306, 10) Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2ccccn12 |r,wU:8.11,wD:5.4,(-3.85,-5.78,;-3.85,-4.23,;-2.52,-5,;-5.19,-3.47,;-2.52,-3.47,;-2.52,-1.93,;-1.18,-1.15,;-1.18,.38,;-2.52,1.15,;-3.85,.38,;-3.85,-1.15,;-2.52,2.69,;-1.18,3.47,;-1.18,5,;.15,5.78,;1.48,5,;1.48,3.47,;.15,2.69,;2.82,2.69,;4.28,3.17,;5.19,1.93,;4.28,.68,;4.6,-.83,;3.46,-1.86,;1.99,-1.38,;1.67,.12,;2.82,1.15,)| Show InChI InChI=1S/C18H22N6O2S/c1-27(25,26)23-14-7-5-13(6-8-14)21-18-19-10-9-15(22-18)16-12-20-17-4-2-3-11-24(16)17/h2-4,9-14,23H,5-8H2,1H3,(H,19,21,22)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	214	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104974 (US8569306, 11) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2ccccn12 |r,wU:4.7,wD:1.0,(-3.19,-4.62,;-3.19,-3.08,;-1.85,-2.31,;-1.85,-.77,;-3.19,,;-4.52,-.77,;-4.52,-2.31,;-3.19,1.54,;-1.85,2.31,;-1.85,3.85,;-.52,4.62,;.82,3.85,;.82,2.31,;-.52,1.54,;2.15,1.54,;3.61,2.02,;4.52,.77,;3.61,-.48,;3.93,-1.98,;2.79,-3.01,;1.32,-2.54,;1,-1.03,;2.15,,)| Show InChI InChI=1S/C17H19N5O/c23-13-6-4-12(5-7-13)20-17-18-9-8-14(21-17)15-11-19-16-3-1-2-10-22(15)16/h1-3,8-13,23H,4-7H2,(H,18,20,21)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	254	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104970 (US8569306, 7) Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:8.11,wD:5.4,(-7.08,-5.78,;-7.08,-4.23,;-8.41,-3.47,;-5.75,-5,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.15,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.15,;-5.75,2.69,;-4.41,3.47,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.47,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.93,;1.05,.68,;1.37,-.83,;2.86,-1.23,;3.95,-.14,;5.44,-.54,;5.84,-2.02,;7.32,-2.42,;8.41,-1.33,;8.01,.15,;6.53,.55,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,)| Show InChI InChI=1S/C25H28N6O3S/c1-35(32,33)30-20-11-9-19(10-12-20)28-25-26-14-13-21(29-25)22-16-27-24-23(8-5-15-31(22)24)34-17-18-6-3-2-4-7-18/h2-8,13-16,19-20,30H,9-12,17H2,1H3,(H,26,28,29)/t19-,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	52.7	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104969 (US8569306, 6) Show SMILES OC1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:12.16,wD:9.9,(-1.06,-6.16,;-2.39,-5.39,;-3.73,-6.16,;-5.06,-5.39,;-5.08,-3.85,;-3.73,-3.08,;-2.39,-3.85,;-6.41,-3.08,;-7.75,-3.85,;-6.41,-1.54,;-5.08,-.77,;-5.08,.77,;-6.41,1.54,;-7.75,.77,;-7.75,-.77,;-6.41,3.08,;-5.08,3.85,;-5.08,5.39,;-3.75,6.16,;-2.41,5.39,;-2.41,3.85,;-3.75,3.08,;-1.08,3.08,;.39,3.56,;1.29,2.31,;.39,1.06,;.71,-.44,;2.19,-.84,;3.28,.25,;4.77,-.15,;5.17,-1.64,;6.66,-2.04,;7.75,-.95,;7.35,.54,;5.86,.94,;-.44,-1.47,;-1.9,-1,;-2.22,.51,;-1.08,1.54,)| Show InChI InChI=1S/C30H34N6O3/c37-24-13-17-35(18-14-24)29(38)22-8-10-23(11-9-22)33-30-31-15-12-25(34-30)26-19-32-28-27(7-4-16-36(26)28)39-20-21-5-2-1-3-6-21/h1-7,12,15-16,19,22-24,37H,8-11,13-14,17-18,20H2,(H,31,33,34)/t22-,23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55.9	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104968 (US8569306, 5) Show SMILES CS(=O)(=O)CCCOc1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(6.01,5.4,;4.92,4.31,;3.43,4.71,;6.4,3.91,;5.32,2.82,;4.23,1.74,;4.63,.25,;3.54,-.84,;2.05,-.44,;.9,-1.47,;-.56,-1,;-.88,.51,;.26,1.54,;.26,3.08,;1.73,3.56,;2.63,2.31,;1.73,1.06,;-1.07,3.85,;-1.07,5.39,;-2.4,6.16,;-3.74,5.39,;-3.74,3.85,;-5.07,3.08,;-5.07,1.54,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-6.4,-.77,;-6.4,.77,;-5.07,-3.08,;-6.4,-3.85,;-3.74,-3.85,;-3.72,-5.39,;-2.39,-6.16,;-1.05,-5.39,;.28,-6.16,;-1.05,-3.85,;-2.39,-3.08,;-2.4,3.08,)| Show InChI InChI=1S/C27H36N6O5S/c1-39(36,37)17-3-16-38-24-4-2-13-33-23(18-29-25(24)33)22-9-12-28-27(31-22)30-20-7-5-19(6-8-20)26(35)32-14-10-21(34)11-15-32/h2,4,9,12-13,18-21,34H,3,5-8,10-11,14-17H2,1H3,(H,28,30,31)/t19-,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50.3	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104967 (US8569306, 4) Show SMILES CN(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(cccn12)C(C)(C)O |r,wU:10.13,wD:7.6,(-6.18,-6.16,;-4.85,-5.39,;-3.51,-6.16,;-4.85,-3.85,;-6.18,-3.08,;-3.51,-4.62,;-3.51,-3.08,;-3.51,-1.54,;-2.18,-.77,;-2.18,.77,;-3.51,1.54,;-4.85,.77,;-4.85,-.77,;-3.51,3.08,;-2.18,3.85,;-2.18,5.39,;-.85,6.16,;.49,5.39,;.49,3.85,;-.85,3.08,;1.82,3.08,;3.28,3.56,;4.19,2.31,;3.28,1.06,;3.61,-.44,;2.46,-1.47,;1,-1,;.68,.51,;1.82,1.54,;5.09,-.84,;6.18,.25,;4,-1.93,;5.49,-2.33,)| Show InChI InChI=1S/C22H31N7O3S/c1-22(2,30)17-6-5-13-29-19(14-24-20(17)29)18-11-12-23-21(26-18)25-15-7-9-16(10-8-15)27-33(31,32)28(3)4/h5-6,11-16,27,30H,7-10H2,1-4H3,(H,23,25,26)/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM236557 (US9365572, 5) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1 Show InChI InChI=1S/C22H13F3N6O2/c23-22(24,25)12-2-1-3-13(8-12)31-19-14(20(32)30-21(31)33)10-27-16-6-5-15(29-18(16)19)11-4-7-17(26)28-9-11/h1-10H,(H2,26,28)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	28
Xuanzhu Pharma Co., Ltd. US Patent					Assay Description Agents: 1-fold kinase buffer without MnCl2: 50 mM HEPES, pH 7.5, 0.0015% Brij-35, 10 mM MgCl2, 2 mM DTT. 1-fold kinase buffer with MnCl2: 50 mM HEPES...				US Patent US9365572 (2016) BindingDB Entry DOI: 10.7270/Q20C4TNC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104965 (US8569306, 2) Show SMILES CC(C)(O)c1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:19.20,wD:22.27,(5.51,.25,;4.43,-.84,;3.34,-1.93,;4.82,-2.33,;2.94,-.44,;1.79,-1.47,;.33,-1,;.01,.51,;1.15,1.54,;1.15,3.08,;2.62,3.56,;3.52,2.31,;2.62,1.06,;-.18,3.85,;-.18,5.39,;-1.51,6.16,;-2.85,5.39,;-2.85,3.85,;-4.18,3.08,;-4.18,1.54,;-2.85,.77,;-2.85,-.77,;-4.18,-1.54,;-5.51,-.77,;-5.51,.77,;-4.18,-3.08,;-5.51,-3.85,;-2.85,-3.85,;-2.83,-5.39,;-1.5,-6.16,;-.16,-5.39,;1.17,-6.16,;-.16,-3.85,;-1.5,-3.08,;-1.51,3.08,)| Show InChI InChI=1S/C26H34N6O3/c1-26(2,35)20-4-3-13-32-22(16-28-23(20)32)21-9-12-27-25(30-21)29-18-7-5-17(6-8-18)24(34)31-14-10-19(33)11-15-31/h3-4,9,12-13,16-19,33,35H,5-8,10-11,14-15H2,1-2H3,(H,27,29,30)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	369	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104964 (US8569306, 1) Show SMILES CC(C)(O)c1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@H](CS(C)(=O)=O)CC2)n1 |r,wU:19.20,wD:22.24,(6.18,-.14,;5.09,-1.23,;4,-2.31,;5.49,-2.71,;3.61,-.83,;2.46,-1.86,;1,-1.38,;.68,.12,;1.82,1.15,;1.82,2.69,;3.28,3.17,;4.19,1.93,;3.28,.68,;.49,3.47,;.49,5,;-.85,5.78,;-2.18,5,;-2.18,3.47,;-3.51,2.69,;-3.51,1.15,;-2.18,.38,;-2.18,-1.15,;-3.51,-1.93,;-3.51,-3.47,;-4.85,-4.23,;-4.85,-5.78,;-6.18,-3.47,;-3.51,-5,;-4.85,-1.15,;-4.85,.38,;-.85,2.69,)| Show InChI InChI=1S/C22H29N5O3S/c1-22(2,28)17-5-4-12-27-19(13-24-20(17)27)18-10-11-23-21(26-18)25-16-8-6-15(7-9-16)14-31(3,29)30/h4-5,10-13,15-16,28H,6-9,14H2,1-3H3,(H,23,25,26)/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	295	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM104966 (US8569306, 3) Show SMILES CC(C)(O)c1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:19.20,wD:22.27,(6.18,-.14,;5.09,-1.23,;4,-2.31,;5.49,-2.71,;3.61,-.83,;2.46,-1.86,;1,-1.38,;.68,.12,;1.82,1.15,;1.82,2.69,;3.28,3.17,;4.19,1.93,;3.28,.68,;.49,3.47,;.49,5,;-.85,5.78,;-2.18,5,;-2.18,3.47,;-3.51,2.69,;-3.51,1.15,;-2.18,.38,;-2.18,-1.15,;-3.51,-1.93,;-4.85,-1.15,;-4.85,.38,;-3.51,-3.47,;-4.85,-4.23,;-4.85,-5.78,;-6.18,-3.47,;-3.51,-5,;-.85,2.69,)| Show InChI InChI=1S/C21H28N6O3S/c1-21(2,28)16-5-4-12-27-18(13-23-19(16)27)17-10-11-22-20(25-17)24-14-6-8-15(9-7-14)26-31(3,29)30/h4-5,10-15,26,28H,6-9H2,1-3H3,(H,22,24,25)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	123	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair