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 = 'BDBM50092766'   

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))	BDBM50092766 (CHEMBL3586401) Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:22.23,wD:19.19,(-9.08,-3.23,;-8.02,-3.85,;-9.08,-4.47,;-8.02,-5.08,;-6.68,-3.08,;-5.35,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;-0,-3.85,;-.01,-5.39,;1.33,-6.16,;1.32,-7.39,;2.66,-5.39,;2.66,-3.85,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C20H22ClFN2/c21-19-3-1-2-4-20(19)24-11-9-23(10-12-24)14-16-13-18(16)15-5-7-17(22)8-6-15/h1-8,16,18H,9-14H2/t16-,18-/m1/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) by mobility shift assay				J Med Chem 58: 5323-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00626 BindingDB Entry DOI: 10.7270/Q208672F
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