null

SMILES: COCC1OC(=O)C([CH-]N(C)CCCCCC(O)=O)=C2C(=[OH+])C(=O)C3=C(C(CC4(C)C3CCC4=O)OC(=O)CCCCN(C)c3ccc([N+]([O-])=O)c4nonc34)C12C

InChI Key: InChIKey=XYQYSGOQOBDQER-UHFFFAOYSA-O

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50262096   

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))	BDBM50262096 (6-(((11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-5...) Show SMILES COCC1OC(=O)C([CH-]N(C)CCCCCC(O)=O)=C2C(=[OH+])C(=O)C3=C(C(CC4(C)C3CCC4=O)OC(=O)CCCCN(C)c3ccc([N+]([O-])=O)c4nonc34)C12C |t:18,24| Show InChI InChI=1S/C40H48N5O13/c1-39-19-26(56-30(49)12-8-10-18-44(4)24-14-15-25(45(53)54)35-34(24)41-58-42-35)33-31(23(39)13-16-27(39)46)36(50)37(51)32-22(20-43(3)17-9-6-7-11-29(47)48)38(52)57-28(21-55-5)40(32,33)2/h14-15,20,23,26,28H,6-13,16-19,21H2,1-5H3,(H,47,48)/q-1/p+1	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	174	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