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 = 'BDBM50300068'   

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))	BDBM50300068 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1 Show InChI InChI=1S/C30H35N9O2/c1-31-30(40)34-22-6-4-21(5-7-22)27-35-28(38-18-24-8-9-25(19-38)41-24)26-16-33-39(29(26)36-27)23-10-13-37(14-11-23)17-20-3-2-12-32-15-20/h2-7,12,15-16,23-25H,8-11,13-14,17-19H2,1H3,(H2,31,34,40)	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	677	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Curated by ChEMBL					Assay Description Inhibition of p100alpha				Bioorg Med Chem Lett 20: 4308-12 (2010) Article DOI: 10.1016/j.bmcl.2010.05.099 BindingDB Entry DOI: 10.7270/Q2MG7PV5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50300068 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1 Show InChI InChI=1S/C30H35N9O2/c1-31-30(40)34-22-6-4-21(5-7-22)27-35-28(38-18-24-8-9-25(19-38)41-24)26-16-33-39(29(26)36-27)23-10-13-37(14-11-23)17-20-3-2-12-32-15-20/h2-7,12,15-16,23-25H,8-11,13-14,17-19H2,1H3,(H2,31,34,40)	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	677	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				J Med Chem 52: 7942-5 (2009) Article DOI: 10.1021/jm901415x BindingDB Entry DOI: 10.7270/Q2WM1DGH
					More data for this Ligand-Target Pair