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 = 'BDBM50112818'   

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))	BDBM50112818 (CHEMBL3609521) Show SMILES CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C21H30N6O2S2/c1-21(2,3)18-24-14-13(30-18)7-6-12-16(14)31-19(23-12)25-20(29)27-9-8-11(10-26(4)5)15(27)17(22)28/h11,15H,6-10H2,1-5H3,(H2,22,28)(H,23,25,29)/t11-,15-/m0/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112818 (CHEMBL3609521) Show SMILES CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C21H30N6O2S2/c1-21(2,3)18-24-14-13(30-18)7-6-12-16(14)31-19(23-12)25-20(29)27-9-8-11(10-26(4)5)15(27)17(22)28/h11,15H,6-10H2,1-5H3,(H2,22,28)(H,23,25,29)/t11-,15-/m0/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair