BindingDB PrimarySearch

BDBM17056 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinazolin-2-one::CHEMBL96632::Dihydro-quinazolinone analog, 5::LY333531

SMILES: COc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl

InChI Key: InChIKey=ITPHWFJOXJNDMV-UHFFFAOYSA-N

Data: 4 IC50 1 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 17056
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
MAP kinase p38 (Mus musculus (mouse))	BDBM17056 (5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methox...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	30
Merck Research Laboratories					Assay Description The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...				Bioorg Med Chem Lett 16: 4400-4 (2006) Article DOI: 10.1016/j.bmcl.2006.05.045 BindingDB Entry DOI: 10.7270/Q2NS0S56
Merck Research Laboratories					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM17056 (5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methox...) Show SMILES Show InChI	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	6	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM17056 (5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methox...) Show SMILES Show InChI	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	6	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
TBA					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM17056 (5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methox...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for full-length GSK3A				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM17056 (5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methox...) Show SMILES Show InChI	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	6	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
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair