Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50113952'   

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))	BDBM50113952 (CHEMBL3605177) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2COc3cnc(cc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-9-4-5-28(14(9)16(24)29)18(30)27-17-26-11-8-31-12-7-25-13(6-10(12)15(11)32-17)19(2,3)20(21,22)23/h6-7,9,14H,4-5,8H2,1-3H3,(H2,24,29)(H,26,27,30)/t9-,14+/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of P110alpha (unknown origin) by Kinase-Glo assay				Bioorg Med Chem Lett 25: 3582-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.077 BindingDB Entry DOI: 10.7270/Q2G73GJG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50113952 (CHEMBL3605177) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2COc3cnc(cc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-9-4-5-28(14(9)16(24)29)18(30)27-17-26-11-8-31-12-7-25-13(6-10(12)15(11)32-17)19(2,3)20(21,22)23/h6-7,9,14H,4-5,8H2,1-3H3,(H2,24,29)(H,26,27,30)/t9-,14+/m1/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of myristoylated human P110alpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylation at Serine 473 by Western blot analy...				Bioorg Med Chem Lett 25: 3582-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.077 BindingDB Entry DOI: 10.7270/Q2G73GJG
					More data for this Ligand-Target Pair