BDBM15242 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4-piperidyl)-3,4-dihydroquinolin-2-one::1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one::quinolinone compound 3
SMILES: Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)CCc12)c1c(Cl)cccc1Cl)C1CCNCC1
InChI Key: InChIKey=VXIYTVJEIXMAQF-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MAP kinase p38 (Mus musculus (mouse)) | BDBM15242 (1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 0.740 | 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 wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam... | Nat Struct Biol 10: 764-9 (2003) Article DOI: 10.1038/nsb949 BindingDB Entry DOI: 10.7270/Q2SX6BF9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM15242 (1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Curated by ChEMBL | Assay Description Inhibition of p38alpha MAP kinase | J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
MAP Kinase p38 alpha Mutant (G110D) (Mus musculus (mouse)) | BDBM15242 (1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4...) | PDB MMDB B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 14 | 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 wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam... | Nat Struct Biol 10: 764-9 (2003) Article DOI: 10.1038/nsb949 BindingDB Entry DOI: 10.7270/Q2SX6BF9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
MAP Kinase p38 alpha Mutant (G110A) (Mus musculus (mouse)) | BDBM15242 (1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4...) | PDB MMDB B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 6.40 | 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 wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam... | Nat Struct Biol 10: 764-9 (2003) Article DOI: 10.1038/nsb949 BindingDB Entry DOI: 10.7270/Q2SX6BF9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |