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 = 'BDBM50503948'   

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))	BDBM50503948 (CHEMBL4458497) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C25H33N5O6S/c1-17-20-12-18(19-13-21(30-37(3,33)34)25(35-2)26-15-19)14-22(24(20)28-16-27-17)36-11-9-7-5-4-6-8-10-23(31)29-32/h12-16,30,32H,4-11H2,1-3H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay				J Med Chem 62: 6992-7014 (2019) Article DOI: 10.1021/acs.jmedchem.9b00390 BindingDB Entry DOI: 10.7270/Q2RF5Z80
					More data for this Ligand-Target Pair