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 = 'BDBM50503961'   

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))	BDBM50503961 (CHEMBL4535819) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H31N5O6S/c1-16-19-11-17(18-12-20(29-36(3,32)33)24(34-2)25-14-18)13-21(23(19)27-15-26-16)35-10-8-6-4-5-7-9-22(30)28-31/h11-15,29,31H,4-10H2,1-3H3,(H,28,30)	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	3.90	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