Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50262138'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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...) Show 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 |r,w:8.8,t:22| Show InChI InChI=1S/C28H35NO10/c1-14(30)38-17-11-27(2)16(8-9-18(27)31)21-23(17)28(3)19(13-37-4)39-26(36)15(22(28)25(35)24(21)34)12-29-10-6-5-7-20(32)33/h12,16-17,19,22,29H,5-11,13H2,1-4H3,(H,32,33)/t16-,17+,19+,22?,27-,28-/m0/s1	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