BDBM25381 1,7-dibenzyl-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::purine-2,6-dione, 24
SMILES: Cn1c2nc(SCCO)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O
InChI Key: InChIKey=VTFCZAWGUWVLNZ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase B-raf (Homo sapiens (Human)) | BDBM25381 (1,7-dibenzyl-8-[(2-hydroxyethyl)sulfanyl]-3-methyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 106 | -9.89 | 1.72E+3 | n/a | n/a | n/a | n/a | 7.0 | 37 |
University of Pennsylvania | Assay Description BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f... | J Med Chem 51: 6121-7 (2008) Article DOI: 10.1021/jm800539g BindingDB Entry DOI: 10.7270/Q2BC3WVM | |||||||||||
More data for this Ligand-Target Pair |