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 = 'BDBM50515207'   

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))	BDBM50515207 (CHEMBL4453300) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)C(F)(F)F Show InChI InChI=1S/C19H22F3N7O2/c20-19(21,22)14-7-15(23)24-8-13(14)16-25-17(28-3-5-30-6-4-28)27-18(26-16)29-11-1-2-12(29)10-31-9-11/h7-8,11-12H,1-6,9-10H2,(H2,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR...				J Med Chem 62: 6241-6261 (2019) Article DOI: 10.1021/acs.jmedchem.9b00525 BindingDB Entry DOI: 10.7270/Q29G5R5G
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