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 = 'BDBM50343231'   

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))	BDBM50343231 (CHEMBL1773598 | N-(6-(2-(3-Methoxyphenylthio)pyrim...) Show SMILES COc1cccc(Sc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)c1 Show InChI InChI=1S/C20H16N4O2S2/c1-12(25)22-20-24-17-7-6-13(10-18(17)28-20)16-8-9-21-19(23-16)27-15-5-3-4-14(11-15)26-2/h3-11H,1-2H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells				J Med Chem 54: 1789-811 (2011) Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K
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