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 = 'BDBM113568'   

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))	BDBM113568 (US8633204, 315) Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n([C@H]2C[C@@H](C2)OCCO)c1=O |r,wU:20.21,wD:22.26,(6,6.48,;6,4.94,;4.67,4.17,;3.33,4.94,;2,4.17,;2,2.63,;3.33,1.86,;4.67,2.63,;6,1.86,;.67,1.86,;-.67,2.63,;-2,1.86,;-3.33,2.63,;-3.33,4.17,;-4.67,1.86,;-4.67,.32,;-6,-.45,;-3.33,-.45,;-2,.32,;-.67,-.45,;-.67,-1.99,;.42,-3.08,;-.67,-4.17,;-1.76,-3.08,;-.67,-5.71,;.67,-6.48,;2,-5.71,;3.33,-6.48,;.67,.32,;2,-.45,)| Show InChI InChI=1S/C20H22FN5O4/c1-10-14-8-15(11-5-16(21)18(29-2)23-9-11)19(28)26(17(14)25-20(22)24-10)12-6-13(7-12)30-4-3-27/h5,8-9,12-13,27H,3-4,6-7H2,1-2H3,(H2,22,24,25)/t12-,13-	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	3.11	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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