BindingDB PrimarySearch

BDBM50122389 5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-phenyl)-7-(1-isopropyl-piperidin-4-yl)-3,4-dihydro-1H-quinazolin-2-one::5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(1-isopropylpiperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one::5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one::CHEMBL328242

SMILES: CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl

InChI Key: InChIKey=KXNNHYBPDFMKQK-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50122389
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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50122389 (5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.600	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				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50122389 (5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	0.600	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				3D Structure (crystal)
MAP kinase p38 (Homo sapiens (Human))	BDBM50122389 (5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of p38 kinase related TNF-alpha release				Bioorg Med Chem Lett 13: 467-70 (2003) BindingDB Entry DOI: 10.7270/Q22F7QM4
Merck& Co. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase p38 (Homo sapiens (Human))	BDBM50122389 (5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of p38 MAP kinase				Bioorg Med Chem Lett 13: 467-70 (2003) BindingDB Entry DOI: 10.7270/Q22F7QM4
Merck& Co. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)