Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50016819   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174086 (CHEMBL198470 | N-(3-hydroxy-4-(1-hydroxy-2-methylp...) Show SMILES CC(C)(CO)c1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1O Show InChI InChI=1S/C24H24ClNO4/c1-24(2,15-27)21-12-3-16(13-22(21)28)14-26-23(29)17-4-8-19(9-5-17)30-20-10-6-18(25)7-11-20/h3-13,27-28H,14-15H2,1-2H3,(H,26,29)	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174085 (CHEMBL198563 | N-(3-(trifluoromethyl)benzyl)-4-phe...) Show SMILES FC(F)(F)c1cccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 Show InChI InChI=1S/C21H16F3NO2/c22-21(23,24)17-6-4-5-15(13-17)14-25-20(26)16-9-11-19(12-10-16)27-18-7-2-1-3-8-18/h1-13H,14H2,(H,25,26)	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	450	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174095 (CHEMBL198832 | N-(3-(trifluoromethoxy)benzyl)-4-ph...) Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 Show InChI InChI=1S/C21H16F3NO3/c22-21(23,24)28-19-8-4-5-15(13-19)14-25-20(26)16-9-11-18(12-10-16)27-17-6-2-1-3-7-17/h1-13H,14H2,(H,25,26)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174098 (CHEMBL197228 | N-((2,3-dihydro-1H-inden-5-yl)methy...) Show SMILES O=C(NCc1ccc2CCCc2c1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H21NO2/c25-23(24-16-17-9-10-18-5-4-6-20(18)15-17)19-11-13-22(14-12-19)26-21-7-2-1-3-8-21/h1-3,7-15H,4-6,16H2,(H,24,25)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174090 (CHEMBL199074 | N-(4-(trifluoromethyl)benzyl)-4-phe...) Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C21H16F3NO2/c22-21(23,24)17-10-6-15(7-11-17)14-25-20(26)16-8-12-19(13-9-16)27-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,26)	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174097 (4-phenoxy-N-(pyridin-2-ylmethyl)benzamide | CHEMBL...) Show SMILES O=C(NCc1ccccn1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174096 (CHEMBL199174 | N-(4-methyl-benzyl)-4-phenoxy-benza...) Show SMILES Cc1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C21H19NO2/c1-16-7-9-17(10-8-16)15-22-21(23)18-11-13-20(14-12-18)24-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174092 (CHEMBL199229 | N-(3-hydroxy-4-(1-hydroxy-2-methylp...) Show SMILES CC(C)(CO)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1O Show InChI InChI=1S/C24H25NO4/c1-24(2,16-26)21-13-8-17(14-22(21)27)15-25-23(28)18-9-11-20(12-10-18)29-19-6-4-3-5-7-19/h3-14,26-27H,15-16H2,1-2H3,(H,25,28)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174088 (4-(2-hydroxybenzylamino)-N-(3-(4-fluorophenoxy)phe...) Show SMILES Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H26FN3O4S/c25-19-8-10-22(11-9-19)32-23-6-3-5-21(16-23)27-33(30,31)28-14-12-20(13-15-28)26-17-18-4-1-2-7-24(18)29/h1-11,16,20,26-27,29H,12-15,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174100 (4-(2-hydroxybenzylamino)-N-(3-(2,4-difluorophenoxy...) Show SMILES Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccc(F)cc2F)c1 Show InChI InChI=1S/C24H25F2N3O4S/c25-18-8-9-24(22(26)14-18)33-21-6-3-5-20(15-21)28-34(31,32)29-12-10-19(11-13-29)27-16-17-4-1-2-7-23(17)30/h1-9,14-15,19,27-28,30H,10-13,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174089 (4-(2-hydroxybenzylamino)-N-(3-phenoxyphenyl)piperi...) Show SMILES Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C24H27N3O4S/c28-24-12-5-4-7-19(24)18-25-20-13-15-27(16-14-20)32(29,30)26-21-8-6-11-23(17-21)31-22-9-2-1-3-10-22/h1-12,17,20,25-26,28H,13-16,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174099 (2-((1-(3-phenoxybenzylsulfonyl)piperidin-4-ylamino...) Show SMILES Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Cc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C25H28N2O4S/c28-25-12-5-4-8-21(25)18-26-22-13-15-27(16-14-22)32(29,30)19-20-7-6-11-24(17-20)31-23-9-2-1-3-10-23/h1-12,17,22,26,28H,13-16,18-19H2	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174094 (4-(2-hydroxybenzylamino)-N-(3-(2-chlorophenoxy)phe...) Show SMILES Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccccc2Cl)c1 Show InChI InChI=1S/C24H26ClN3O4S/c25-22-9-2-4-11-24(22)32-21-8-5-7-20(16-21)27-33(30,31)28-14-12-19(13-15-28)26-17-18-6-1-3-10-23(18)29/h1-11,16,19,26-27,29H,12-15,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174091 (4-(benzylamino)-N-(3-phenoxyphenyl)piperidine-1-su...) Show SMILES O=S(=O)(Nc1cccc(Oc2ccccc2)c1)N1CCC(CC1)NCc1ccccc1 Show InChI InChI=1S/C24H27N3O3S/c28-31(29,26-22-10-7-13-24(18-22)30-23-11-5-2-6-12-23)27-16-14-21(15-17-27)25-19-20-8-3-1-4-9-20/h1-13,18,21,25-26H,14-17,19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174087 (4-(naphthalen-1-ylmethylamino)-N-(3-phenoxyphenyl)...) Show SMILES O=S(=O)(Nc1cccc(Oc2ccccc2)c1)N1CCC(CC1)NCc1cccc2ccccc12 Show InChI InChI=1S/C28H29N3O3S/c32-35(33,30-25-11-7-14-27(20-25)34-26-12-2-1-3-13-26)31-18-16-24(17-19-31)29-21-23-10-6-9-22-8-4-5-15-28(22)23/h1-15,20,24,29-30H,16-19,21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50174093 (4-(2-hydroxybenzylamino)-N-(3-(3-(trifluoromethyl)...) Show SMILES Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C25H26F3N3O4S/c26-25(27,28)19-6-3-8-22(15-19)35-23-9-4-7-21(16-23)30-36(33,34)31-13-11-20(12-14-31)29-17-18-5-1-2-10-24(18)32/h1-10,15-16,20,29-30,32H,11-14,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Locus Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against p38alpha MAPK				Bioorg Med Chem Lett 15: 5274-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.038 BindingDB Entry DOI: 10.7270/Q24J0DP9
					More data for this Ligand-Target Pair