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 = 'BDBM50502317'   

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))	BDBM50502317 (CHEMBL4471468) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CC3)c2c1 |r| Show InChI InChI=1S/C23H26N6O4S/c1-33-22-20(28-34(2,31)32)10-16(11-24-22)15-5-6-19-18(9-15)21(26-13-25-19)27-17-7-8-29(12-17)23(30)14-3-4-14/h5-6,9-11,13-14,17,28H,3-4,7-8,12H2,1-2H3,(H,25,26,27)/t17-/m0/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.05.043 BindingDB Entry DOI: 10.7270/Q2833W8M
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