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 = 'BDBM108189'   

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))	BDBM108189 (US8598157, I-66) Show SMILES CCc1ncnc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN5O3S/c1-3-23-22(25(29-16-28-23)31-12-10-20(32)11-13-31)9-4-18-14-24(17(2)27-15-18)30-35(33,34)21-7-5-19(26)6-8-21/h5-8,14-16,20,30,32H,3,10-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair