Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha' and Ligand = 'BDBM50346961'   

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-phosphate 3-kinase C2 domain-containing subunit alpha (Homo sapiens (Human))	BDBM50346961 (CHEMBL1795875) Show SMILES CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C41H32F3N5O2/c1-48-18-16-31(17-19-48)47-40(51)26-8-6-25(7-9-26)33-13-12-32(22-35(33)41(42,43)44)49-38(50)15-11-29-23-46-37-14-10-27(21-34(37)39(29)49)30-20-28-4-2-3-5-36(28)45-24-30/h2-15,20-24,31H,16-19H2,1H3,(H,47,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI3K C2alpha				Bioorg Med Chem Lett 21: 4036-40 (2011) Article DOI: 10.1016/j.bmcl.2011.04.129 BindingDB Entry DOI: 10.7270/Q2Z60PD1
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