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 = 'BDBM50503962'   

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))	BDBM50503962 (CHEMBL4456391) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H29N5O6S/c1-15-18-10-16(17-11-19(28-35(3,31)32)23(33-2)24-13-17)12-20(22(18)26-14-25-15)34-9-7-5-4-6-8-21(29)27-30/h10-14,28,30H,4-9H2,1-3H3,(H,27,29)	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	2.30	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