BDBM50262092 5-[Methyl-(7-nitro-benzo[1,2,5]oxadiazol-4-yl)-amino]-pentanoic acid 6-methoxymethyl-3a,5b-dimethyl-3,8,11-trioxo-2,3,3a,4,5,5b,11,11b-octahydro-1H,6H,8H-7,10-dioxa-cyclopenta[j]acephenanthrylen-5-yl ester::CHEMBL446470
SMILES: COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(=O)CCCCN(C)c1ccc([N+]([O-])=O)c2nonc12)C3=O
InChI Key: InChIKey=MMMWOFHCYYOIHW-CGBAXLNESA-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)) | BDBM50262092 (5-[Methyl-(7-nitro-benzo[1,2,5]oxadiazol-4-yl)-ami...) | 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 | 24.2 | 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 |