BDBM50122376 5-(2-Chloro-4-fluoro-phenyl)-7-(1-cyclobutylmethyl-piperidin-4-yl)-1-(2,6-dichloro-phenyl)-3,4-dihydro-1H-quinazolin-2-one::5-(2-chloro-4-fluorophenyl)-7-(1-(cyclobutylmethyl)piperidin-4-yl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2(1H)-one::CHEMBL264627
SMILES: Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC2CCC2)CC1
InChI Key: InChIKey=VATQLKILEGFOAH-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50122376 (5-(2-Chloro-4-fluoro-phenyl)-7-(1-cyclobutylmethyl...) | 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 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM50122376 (5-(2-Chloro-4-fluoro-phenyl)-7-(1-cyclobutylmethyl...) | 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 | 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 | |||||||||||
More data for this Ligand-Target Pair |