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 = 'BDBM50396307'   

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))	BDBM50396307 (CHEMBL2172480) Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cccnc1C Show InChI InChI=1S/C20H18N10/c1-11-14(4-3-8-22-11)13-5-6-16-27-19(26-15-7-9-23-29-15)17(30(16)10-13)18-24-12(2)25-20(21)28-18/h3-10H,1-2H3,(H2,23,26,29)(H2,21,24,25,28)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by AlphaScreen assay				Bioorg Med Chem Lett 22: 4967-74 (2012) Article DOI: 10.1016/j.bmcl.2012.06.033 BindingDB Entry DOI: 10.7270/Q2BK1DHN
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