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 = 'BDBM124779'   

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))	BDBM124779 (US8765940, tert-butyl 4-(5,7-difluoro-3-methyl-4-(...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H42F2N6O4/c1-22-29(42-21-34(5-13-44-14-6-34)30-27(42)19-24(20-37-30)39-11-15-45-16-12-39)28-25(36)17-23(35)18-26(28)38-31(22)40-7-9-41(10-8-40)32(43)46-33(2,3)4/h17-20H,5-16,21H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
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