BDBM15243 1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-2-one::10-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)sulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-5,8,10-triazabicyclo[4.4.0]deca-2,4,7,11-tetraen-9-one::pyridol-pyrimidine compound 4
SMILES: Fc1ccc(Sc2nc3CNC(=O)N(c3cc2C2=CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
InChI Key: InChIKey=PZUXNWPJBLCJKB-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)) | BDBM15243 (1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulf...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 4.30 | 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 (G110D) (Mus musculus (mouse)) | BDBM15243 (1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulf...) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 160 | 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)) | BDBM15243 (1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulf...) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 61 | 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) |