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 = 'BDBM50189742'   

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))	BDBM50189742 (5-[5-(2-hydroxy-5-trifluoromethoxyphenyl)furan-2-y...) Show SMILES Oc1ccc(OC(F)(F)F)cc1-c1ccc(\C=C2/SC(=O)NC2=O)o1 Show InChI InChI=1S/C15H8F3NO5S/c16-15(17,18)24-8-1-3-10(20)9(5-8)11-4-2-7(23-11)6-12-13(21)19-14(22)25-12/h1-6,20H,(H,19,21,22)/b12-6-	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha				J Med Chem 49: 3857-71 (2006) Article DOI: 10.1021/jm0601598 BindingDB Entry DOI: 10.7270/Q2DZ07X0
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