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 = 'BDBM50189764'   

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))	BDBM50189764 (5-[5-(2-hydroxy-3-nitrophenyl)furan-2-ylmethylene]...) Show SMILES Oc1c(cccc1[N+]([O-])=O)-c1ccc(\C=C2/SC(=O)NC2=O)o1 Show InChI InChI=1S/C14H8N2O6S/c17-12-8(2-1-3-9(12)16(20)21)10-5-4-7(22-10)6-11-13(18)15-14(19)23-11/h1-6,17H,(H,15,18,19)/b11-6-	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	1.25E+3	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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