BDBM50122403 1-(2,6-Dichloro-phenyl)-5-(2,4-difluoro-phenyl)-2-oxo-1,2,3,4-tetrahydro-quinazoline-7-carboxylic acid methyl ester::CHEMBL94547::methyl 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

SMILES: COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl

InChI Key: InChIKey=WHISBCGJLLBHTQ-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50122403   

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))	BDBM50122403 (1-(2,6-Dichloro-phenyl)-5-(2,4-difluoro-phenyl)-2-...) Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H14Cl2F2N2O3/c1-31-21(29)11-7-14(13-6-5-12(25)9-18(13)26)15-10-27-22(30)28(19(15)8-11)20-16(23)3-2-4-17(20)24/h2-9H,10H2,1H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 13: 277-80 (2002) BindingDB Entry DOI: 10.7270/Q25X2884
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50122403 (1-(2,6-Dichloro-phenyl)-5-(2,4-difluoro-phenyl)-2-...) Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H14Cl2F2N2O3/c1-31-21(29)11-7-14(13-6-5-12(25)9-18(13)26)15-10-27-22(30)28(19(15)8-11)20-16(23)3-2-4-17(20)24/h2-9H,10H2,1H3,(H,27,30)	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	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha MAPK (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0179-7 BindingDB Entry DOI: 10.7270/Q2WW7MMT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50122403 (1-(2,6-Dichloro-phenyl)-5-(2,4-difluoro-phenyl)-2-...) Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H14Cl2F2N2O3/c1-31-21(29)11-7-14(13-6-5-12(25)9-18(13)26)15-10-27-22(30)28(19(15)8-11)20-16(23)3-2-4-17(20)24/h2-9H,10H2,1H3,(H,27,30)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of p38alpha				J Med Chem 51: 1179-88 (2008) Article DOI: 10.1021/jm070654j BindingDB Entry DOI: 10.7270/Q29Z95RD
					More data for this Ligand-Target Pair