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 = 'BDBM124755'   

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))	BDBM124755 (US8765940, 1'-(5,7-difluoro-3-methyl-2-(2-(met...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C32H32F2N4O4S/c1-20-29(23-5-3-4-6-27(23)43(2,39)40)36-25-16-21(33)15-24(34)28(25)30(20)38-19-32(7-11-41-12-8-32)31-26(38)17-22(18-35-31)37-9-13-42-14-10-37/h3-6,15-18H,7-14,19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.51	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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