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 = 'BDBM113469'   

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))	BDBM113469 (US8633204, 180) Show SMILES CO[C@H]1CC[C@@H](CC1)n1c2nc(N)nc(C)c2cc(-c2cnc(OC)c(F)c2)c1=O |r,wU:5.8,wD:2.1,(,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-6.67,.77,;-5.33,3.08,;-4,3.85,;-4,5.39,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;4,5.39,;5.33,6.16,;6.67,5.39,;4,3.85,;5.33,3.08,;2.67,3.08,;,1.54,;1.33,.77,)| Show InChI InChI=1S/C21H24FN5O3/c1-11-15-9-16(12-8-17(22)19(30-3)24-10-12)20(28)27(18(15)26-21(23)25-11)13-4-6-14(29-2)7-5-13/h8-10,13-14H,4-7H2,1-3H3,(H2,23,25,26)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
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