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 = 'BDBM50177667'   

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))	BDBM50177667 (CHEMBL3815084) Show SMILES COC1(COC1)c1nc2c(nc(nc2n1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3/c1-25-14-12(22-16(25)18(27-2)9-29-10-18)15(26-3-5-28-6-4-26)24-13(23-14)11-7-20-17(19)21-8-11/h7-8H,3-6,9-10H2,1-2H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl...				ACS Med Chem Lett 7: 351-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD
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