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 = 'BDBM127374'   

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))	BDBM127374 (US8791131, 132) Show SMILES COc1ccc(cn1)-c1ccc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3c2n1 |r,wU:19.19,wD:22.23,(-6.65,.15,;-5.31,.92,;-3.98,.15,;-3.98,-1.39,;-2.64,-2.16,;-1.31,-1.39,;-1.31,.15,;-2.64,.92,;.02,-2.16,;.02,-3.7,;1.36,-4.47,;2.69,-3.7,;4.02,-4.47,;5.36,-3.7,;5.36,-2.16,;6.5,-1.13,;5.88,.28,;6.65,1.61,;4.34,.12,;3.26,1.2,;1.77,.81,;.68,1.89,;1.08,3.38,;-.01,4.47,;2.56,3.78,;3.65,2.69,;4.02,-1.39,;2.69,-2.16,;1.36,-1.39,)| Show InChI InChI=1S/C21H21N5O3/c1-29-18-9-2-12(10-23-18)15-7-8-16-19(24-15)20-17(11-22-16)25-21(28)26(20)13-3-5-14(27)6-4-13/h2,7-11,13-14,27H,3-6H2,1H3,(H,25,28)/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	0.510	-53.0	n/a	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-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...				US Patent US8791131 (2014) BindingDB Entry DOI: 10.7270/Q23B5XV8
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