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 = 'BDBM50314346'   

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))	BDBM50314346 (1-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...) Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C23H22N4O4/c1-26-12-14(11-18-21(29)20-16(28)3-2-4-17(20)31-18)19-15(5-8-25-23(19)26)27-9-6-13(7-10-27)22(24)30/h2-5,8,11-13,28H,6-7,9-10H2,1H3,(H2,24,30)/b18-11-	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 2321-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.135 BindingDB Entry DOI: 10.7270/Q2PK0G82
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