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 = 'BDBM50458741'   

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))	BDBM50458741 (CHEMBL4216218) Show SMILES C[C@@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(3-4-18)31(2,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,23,24)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Haiyan Pharmaceutical Technology Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				ACS Med Chem Lett 9: 719-724 (2018) Article DOI: 10.1021/acsmedchemlett.8b00167 BindingDB Entry DOI: 10.7270/Q21V5HK8
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