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 = 'BDBM50377128'   

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))	BDBM50377128 (CHEMBL257371) Show SMILES COc1ccc2c(Sc3ccc(cc3)[N+]([O-])=O)c3ccoc3nc2c1 Show InChI InChI=1S/C18H12N2O4S/c1-23-12-4-7-14-16(10-12)19-18-15(8-9-24-18)17(14)25-13-5-2-11(3-6-13)20(21)22/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nicholas Piramal Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3K-alpha assessed as formation of PI3P from PI by cell free kinase assay				Bioorg Med Chem Lett 18: 3603-6 (2008) Article DOI: 10.1016/j.bmcl.2008.04.078 BindingDB Entry DOI: 10.7270/Q2SX6F32
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