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 = 'BDBM50520027'   

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))	BDBM50520027 (CHEMBL4438927) Show SMILES Nc1ccc(cc1)-c1nc(nc(n1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCOCC1 Show InChI InChI=1S/C33H32FN9O3/c34-27-10-5-21(20-28-24-3-1-2-4-25(24)30(44)40-39-28)19-26(27)31(45)41-11-13-42(14-12-41)32-36-29(22-6-8-23(35)9-7-22)37-33(38-32)43-15-17-46-18-16-43/h1-10,19H,11-18,20,35H2,(H,40,44)	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	331	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay				J Med Chem 63: 122-139 (2020) Article DOI: 10.1021/acs.jmedchem.9b00622 BindingDB Entry DOI: 10.7270/Q21G0QPD
					More data for this Ligand-Target Pair