Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50031195   

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))	BDBM50308764 (4-(3,4-Difluorophenyl)-N-(4-methyl-3-(3-methyl-4-o...) Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(F)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H19F5N6O2/c1-13-3-5-16(11-21(13)34-15-6-8-20-17(10-15)25(40)38(2)12-33-20)35-24(39)23-22(36-26(37-23)27(30,31)32)14-4-7-18(28)19(29)9-14/h3-12,34H,1-2H3,(H,35,39)(H,36,37)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308757 (5-(4-Fluorophenyl)-N-(4-methyl-3-(3-methyl-4-oxo-3...) Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)cc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H20F4N6O2/c1-14-3-8-18(12-21(14)33-17-9-10-20-19(11-17)25(39)37(2)13-32-20)34-24(38)23-22(15-4-6-16(28)7-5-15)35-26(36-23)27(29,30)31/h3-13,33H,1-2H3,(H,34,38)(H,35,36)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	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	MMDB PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308758 (5-(3-Chloro-4-fluorophenyl)-N-(4-methyl-3-(3-methy...) Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H19ClF4N6O2/c1-13-3-5-16(11-21(13)34-15-6-8-20-17(10-15)25(40)38(2)12-33-20)35-24(39)23-22(36-26(37-23)27(30,31)32)14-4-7-19(29)18(28)9-14/h3-12,34H,1-2H3,(H,35,39)(H,36,37)	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	49	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308759 (5-(4-Fluoro-3-methylphenyl)-N-(4-methyl-3-(3-methy...) Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(C)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C28H22F4N6O2/c1-14-4-6-18(12-22(14)34-17-7-9-21-19(11-17)26(40)38(3)13-33-21)35-25(39)24-23(36-27(37-24)28(30,31)32)16-5-8-20(29)15(2)10-16/h4-13,34H,1-3H3,(H,35,39)(H,36,37)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	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	MMDB PDB Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308761 (CHEMBL591673 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...) Show SMILES COc1cc(cc(OC)c1OC)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F Show InChI InChI=1S/C30H27F3N6O5/c1-15-6-7-18(13-21(15)35-17-8-9-20-19(12-17)28(41)39(2)14-34-20)36-27(40)25-24(37-29(38-25)30(31,32)33)16-10-22(42-3)26(44-5)23(11-16)43-4/h6-14,35H,1-5H3,(H,36,40)(H,37,38)	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	94	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308765 (2-tert-Butyl-N-(4-methyl-3-(3-methyl-4-oxo-3,4-dih...) Show SMILES Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N6O2/c1-18-7-10-20(11-8-18)26-27(36-30(35-26)31(3,4)5)28(38)34-22-12-9-19(2)25(16-22)33-21-13-14-24-23(15-21)29(39)37(6)17-32-24/h7-17,33H,1-6H3,(H,34,38)(H,35,36)	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
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308760 (5-(3-Fluoro-4-methylphenyl)-N-(4-methyl-3-(3-methy...) Show SMILES Cc1ccc(cc1F)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F Show InChI InChI=1S/C28H22F4N6O2/c1-14-4-6-16(10-20(14)29)23-24(37-27(36-23)28(30,31)32)25(39)35-18-7-5-15(2)22(12-18)34-17-8-9-21-19(11-17)26(40)38(3)13-33-21/h4-13,34H,1-3H3,(H,35,39)(H,36,37)	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
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308762 (CHEMBL591526 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...) Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2cccc(c2)C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C28H20F6N6O2/c1-14-6-7-18(12-21(14)36-17-8-9-20-19(11-17)25(42)40(2)13-35-20)37-24(41)23-22(38-26(39-23)28(32,33)34)15-4-3-5-16(10-15)27(29,30)31/h3-13,36H,1-2H3,(H,37,41)(H,38,39)	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	105	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308766 (CHEMBL605404 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...) Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C32H26N6O2/c1-20-13-14-24(18-27(20)34-23-15-16-26-25(17-23)32(40)38(2)19-33-26)35-31(39)29-28(21-9-5-3-6-10-21)36-30(37-29)22-11-7-4-8-12-22/h3-19,34H,1-2H3,(H,35,39)(H,36,37)	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	122	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308755 (CHEMBL589415 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...) Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H21F3N6O2/c1-15-8-9-18(13-21(15)32-17-10-11-20-19(12-17)25(38)36(2)14-31-20)33-24(37)23-22(16-6-4-3-5-7-16)34-26(35-23)27(28,29)30/h3-14,32H,1-2H3,(H,33,37)(H,34,35)	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	405	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308763 (CHEMBL591661 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...) Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C28H20F6N6O2/c1-14-7-8-16(12-21(14)36-15-9-10-20-18(11-15)25(42)40(2)13-35-20)37-24(41)23-22(38-26(39-23)28(32,33)34)17-5-3-4-6-19(17)27(29,30)31/h3-13,36H,1-2H3,(H,37,41)(H,38,39)	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	468	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50308756 (CHEMBL605198 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...) Show SMILES Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F Show InChI InChI=1S/C28H23F3N6O2/c1-15-4-7-17(8-5-15)23-24(36-27(35-23)28(29,30)31)25(38)34-19-9-6-16(2)22(13-19)33-18-10-11-21-20(12-18)26(39)37(3)14-32-21/h4-14,33H,1-3H3,(H,34,38)(H,35,36)	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	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay				Bioorg Med Chem 18: 292-304 (2010) Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4
					More data for this Ligand-Target Pair