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 = 'BDBM50316254'   

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))	BDBM50316254 (CHEMBL1098245 | methyl 4-(6-(4-(3-(4-(2-hydroxyeth...) Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C31H36N8O5/c1-43-31(42)38-13-10-25(11-14-38)39-29-26(20-32-39)28(37-15-18-44-19-16-37)35-27(36-29)22-4-8-24(9-5-22)34-30(41)33-23-6-2-21(3-7-23)12-17-40/h2-9,20,25,40H,10-19H2,1H3,(H2,33,34,41)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by DELFIA assay				J Med Chem 52: 8010-24 (2009) Article DOI: 10.1021/jm9013828 BindingDB Entry DOI: 10.7270/Q28W3DGF
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