BDBM50262138 5-((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-4,4a,6,6a,7,8,9,9a-octahydroindeno[4,5-h]isochromen-1(2H,5H,10H)-ylidene)methylamino)pentanoic acid::CHEMBL512987
SMILES: COC[C@H]1OC(=O)C(=CNCCCCC(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C
InChI Key: InChIKey=CDSOJGRBCIBRIH-HIOMACPFSA-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 alpha isoform (Homo sapiens (Human)) | BDBM50262138 (5-((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay | J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3 | |||||||||||
More data for this Ligand-Target Pair |