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 = 'BDBM50520029'   

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))	BDBM50520029 (CHEMBL4593274) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCc2c(C1)nc(nc2N1CCOCC1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C35H30FN7O3/c36-28-9-8-21(19-30-22-4-1-2-5-25(22)34(44)41-40-30)18-27(28)35(45)43-13-11-26-31(20-43)38-32(39-33(26)42-14-16-46-17-15-42)24-6-3-7-29-23(24)10-12-37-29/h1-10,12,18,37H,11,13-17,19-20H2,(H,41,44)	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	44	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