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 = 'BDBM50328587'   

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))	BDBM50328587 (1-(4-(4-([3,6'-biquinolin]-4'-ylamino)-2-(trifluor...) Show SMILES CN(C)CCC(=O)N1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cnc3ccccc3c2)cc1C(F)(F)F Show InChI InChI=1S/C34H33F3N6O/c1-41(2)14-12-33(44)43-17-15-42(16-18-43)32-10-8-26(21-28(32)34(35,36)37)40-31-11-13-38-30-9-7-23(20-27(30)31)25-19-24-5-3-4-6-29(24)39-22-25/h3-11,13,19-22H,12,14-18H2,1-2H3,(H,38,40)	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	>300	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
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