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 = 'BDBM50305293'   

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))	BDBM50305293 ((3-(9-(1-(4-(3-(dimethylamino)propoxy)benzyl)piper...) Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(CO)c2)N2CCOCC2)cc1 Show InChI InChI=1S/C33H43N7O3/c1-37(2)13-4-18-43-29-9-7-25(8-10-29)22-38-14-11-28(12-15-38)40-24-34-30-32(39-16-19-42-20-17-39)35-31(36-33(30)40)27-6-3-5-26(21-27)23-41/h3,5-10,21,24,28,41H,4,11-20,22-23H2,1-2H3	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	16	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: 653-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.057 BindingDB Entry DOI: 10.7270/Q2X63N1H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50305293 ((3-(9-(1-(4-(3-(dimethylamino)propoxy)benzyl)piper...) Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(CO)c2)N2CCOCC2)cc1 Show InChI InChI=1S/C33H43N7O3/c1-37(2)13-4-18-43-29-9-7-25(8-10-29)22-38-14-11-28(12-15-38)40-24-34-30-32(39-16-19-42-20-17-39)35-31(36-33(30)40)27-6-3-5-26(21-27)23-41/h3,5-10,21,24,28,41H,4,11-20,22-23H2,1-2H3	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human MDA-MB-361 cells assessed as reduction of phosphorylated Akt (T308) level after 4 hrs by western blotting				Bioorg Med Chem Lett 20: 653-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.057 BindingDB Entry DOI: 10.7270/Q2X63N1H
					More data for this Ligand-Target Pair