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 = 'BDBM50351955'   

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))	BDBM50351955 (CHEMBL1822060) Show SMILES CC(=O)Nc1nc2ccc(cc2[nH]1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H15ClFN5O3S/c1-11(28)24-20-25-16-7-2-12(8-17(16)26-20)13-9-18(19(21)23-10-13)27-31(29,30)15-5-3-14(22)4-6-15/h2-10,27H,1H3,(H2,24,25,26,28)	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	3.30	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 using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP				J Med Chem 54: 5174-84 (2011) Article DOI: 10.1021/jm2004442 BindingDB Entry DOI: 10.7270/Q2V12567
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