BDBM334117 9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-({(3S)- 1-[(1-methyl-1H-imidazol-5- yl)carbonyl]pyrrolidin-3- yl}oxy)-9H-purine::US9730940, Compound 3-58
SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3cncn3C)ncnc12)-c1cnc(OC)c(F)c1
InChI Key: InChIKey=GDGODIUBGFVMTJ-AWEZNQCLSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human)) | BDBM334117 (9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-({(3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme US Patent | Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio... | US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX | |||||||||||
More data for this Ligand-Target Pair |