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 = 'BDBM127391'   

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))	BDBM127391 (US8791131, 154) Show SMILES COc1ncc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(=O)[C@H](C)O)c3c2n1 |r| Show InChI InChI=1S/C23H25N7O4/c1-13(31)21(32)29-8-6-15(7-9-29)30-20-18(28(2)23(30)33)12-24-17-5-4-16(27-19(17)20)14-10-25-22(34-3)26-11-14/h4-5,10-13,15,31H,6-9H2,1-3H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.59	-49.0	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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