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 = 'BDBM50240336'   

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))	BDBM50240336 (CHEMBL4078453) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C24H24FN9O2/c25-16-1-3-17(4-2-16)29-24(35)33-6-5-20-19(13-33)31-22-21(32-7-9-36-10-8-32)30-18(14-34(20)22)15-11-27-23(26)28-12-15/h1-4,11-12,14H,5-10,13H2,(H,29,35)(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
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