BDBM50418607 CHEMBL1784173

SMILES: CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1

InChI Key: InChIKey=HWLMFLICZZAURM-UHFFFAOYSA-N

Data: 2 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50418607   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GST-tagged p38alpha by fluorescence polarization method				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 11 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GST-tagged p38beta by fluorescence polarization method				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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.1	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 whole blood 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
Cytochrome P450 2C9 (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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in Escherichia coli by fluorimetric assay				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 UniProtKB/TrEMBL 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