BDBM50122398 5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-phenyl)-7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinazolin-2-one::5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(piperazine-1-carbonyl)-3,4-dihydroquinazolin-2(1H)-one::CHEMBL96225

SMILES: Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1

InChI Key: InChIKey=YUFBQMLHYDMCTI-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 = 50122398   

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))	BDBM50122398 (5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...) Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1 Show InChI InChI=1S/C25H20Cl3FN4O2/c26-19-2-1-3-20(27)23(19)33-22-11-14(24(34)32-8-6-30-7-9-32)10-17(18(22)13-31-25(33)35)16-5-4-15(29)12-21(16)28/h1-5,10-12,30H,6-9,13H2,(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	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))	BDBM50122398 (5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...) Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1 Show InChI InChI=1S/C25H20Cl3FN4O2/c26-19-2-1-3-20(27)23(19)33-22-11-14(24(34)32-8-6-30-7-9-32)10-17(18(22)13-31-25(33)35)16-5-4-15(29)12-21(16)28/h1-5,10-12,30H,6-9,13H2,(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.10	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))	BDBM50122398 (5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...) Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1 Show InChI InChI=1S/C25H20Cl3FN4O2/c26-19-2-1-3-20(27)23(19)33-22-11-14(24(34)32-8-6-30-7-9-32)10-17(18(22)13-31-25(33)35)16-5-4-15(29)12-21(16)28/h1-5,10-12,30H,6-9,13H2,(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	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