Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50505428'   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50505428 (CHEMBL4562850) Show SMILES [H][C@]12Cc3c(nc(nc3-c3ccc(N)nc3)N3CCOCC3)N1CCOC2 |r| Show InChI InChI=1S/C18H22N6O2/c19-15-2-1-12(10-20-15)16-14-9-13-11-26-8-5-24(13)17(14)22-18(21-16)23-3-6-25-7-4-23/h1-2,10,13H,3-9,11H2,(H2,19,20)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	541	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
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