Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50041919   

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))	BDBM50418611 (CHEMBL1784176) Show SMILES C[C@@H](NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1)C(C)(C)C |r| Show InChI InChI=1S/C23H28FN3O2/c1-13-18(10-16(11-19(13)24)22(29)27-17-7-8-17)20-9-6-15(12-25-20)21(28)26-14(2)23(3,4)5/h6,9-12,14,17H,7-8H2,1-5H3,(H,26,28)(H,27,29)/t14-/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	25.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418608 (CHEMBL1784174) Show SMILES CC(C)[C@@H](C)NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1 |r| Show InChI InChI=1S/C22H26FN3O2/c1-12(2)14(4)25-21(27)15-5-8-20(24-11-15)18-9-16(10-19(23)13(18)3)22(28)26-17-6-7-17/h5,8-12,14,17H,6-7H2,1-4H3,(H,25,27)(H,26,28)/t14-/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	63.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418599 (CHEMBL1784164) Show SMILES Cc1c(F)cc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23FN2O2/c1-13-19(10-17(11-20(13)23)22(27)25-18-8-9-18)15-4-6-16(7-5-15)21(26)24-12-14-2-3-14/h4-7,10-11,14,18H,2-3,8-9,12H2,1H3,(H,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	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418610 (GW-856553 | GW856553X | LOSMAPIMOD | US10550073, C...) Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418606 (CHEMBL1784172) Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H22FN3O2/c1-12-17(8-15(9-18(12)22)21(27)25-16-5-6-16)19-7-4-14(11-23-19)20(26)24-10-13-2-3-13/h4,7-9,11,13,16H,2-3,5-6,10H2,1H3,(H,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	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418600 (CHEMBL1784165) Show SMILES Cc1c(Cl)cc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23ClN2O2/c1-13-19(10-17(11-20(13)23)22(27)25-18-8-9-18)15-4-6-16(7-5-15)21(26)24-12-14-2-3-14/h4-7,10-11,14,18H,2-3,8-9,12H2,1H3,(H,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	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418607 (CHEMBL1784173) Show SMILES CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1 Show InChI InChI=1S/C21H24FN3O2/c1-12(2)10-24-20(26)14-4-7-19(23-11-14)17-8-15(9-18(22)13(17)3)21(27)25-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,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	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50263093 (6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...) Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
					More data for this Ligand-Target Pair				3D Structure (crystal)