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 = 'BDBM50320103'   

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))	BDBM50320103 (1-(2-((5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-y...) Show SMILES CNC(=O)Nc1ccc2O\C(=C\c3c([nH]c4ccc(OC)cc34)-c3c(C)nn(C)c3C)C(=O)c2c1 |(-6.21,5.21,;-4.89,5.98,;-3.55,5.22,;-2.22,5.99,;-3.55,3.68,;-2.21,2.91,;-.87,3.69,;.45,2.92,;.45,1.39,;1.6,.37,;.97,-1.04,;1.74,-2.37,;1.14,-3.79,;2.05,-5.04,;1.14,-6.29,;-.32,-5.82,;-1.66,-6.59,;-2.99,-5.82,;-2.99,-4.28,;-4.33,-3.51,;-4.33,-1.97,;-1.66,-3.51,;-.32,-4.27,;3.59,-5.04,;4.49,-6.29,;4.01,-7.75,;5.95,-5.81,;5.95,-4.27,;7.2,-3.36,;4.49,-3.79,;4.01,-2.33,;-.56,-.88,;-1.59,-2.03,;-.87,.63,;-2.2,1.38,)| Show InChI InChI=1S/C26H25N5O4/c1-13-23(14(2)31(4)30-13)24-18(17-11-16(34-5)7-8-20(17)29-24)12-22-25(32)19-10-15(28-26(33)27-3)6-9-21(19)35-22/h6-12,29H,1-5H3,(H2,27,28,33)/b22-12+	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 3526-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.139 BindingDB Entry DOI: 10.7270/Q2FQ9WSC
					More data for this Ligand-Target Pair