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 = 'BDBM50072964'   

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))	BDBM50072964 (CHEMBL3410642) Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)NCCN(C)C)cc1 |r| Show InChI InChI=1S/C22H32N6O4S/c1-16-14-32-12-11-28(16)20-13-19(15-33(4,30)31)24-21(26-20)17-5-7-18(8-6-17)25-22(29)23-9-10-27(2)3/h5-8,13,16H,9-12,14-15H2,1-4H3,(H2,23,25,29)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using biotinylated PIP2 as substrate				J Med Chem 58: 2326-49 (2015) Article DOI: 10.1021/jm501778s BindingDB Entry DOI: 10.7270/Q2DF6SW8
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