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 = 'BDBM50515209'   

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))	BDBM50515209 (CHEMBL4472639) Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C17H21F3N8O2/c1-10-9-30-7-4-28(10)16-25-13(24-15(26-16)27-2-5-29-6-3-27)11-8-22-14(21)23-12(11)17(18,19)20/h8,10H,2-7,9H2,1H3,(H2,21,22,23)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	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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