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 = 'BDBM50336877'   

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))	BDBM50336877 (5,5'-(2-morpholinopyrimidine-4,6-diyl)dipyrimidin-...) Show SMILES Nc1ncc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C16H18N10O/c17-14-19-6-10(7-20-14)12-5-13(23-11-8-21-15(18)22-9-11)25-16(24-12)26-1-3-27-4-2-26/h5-9H,1-4H2,(H2,17,19,20)(H2,18,21,22)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
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