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 = 'BDBM35585'   

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))	BDBM35585 (pyrazolo pyrimidine, 18) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1 Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by DELFIA assay				J Med Chem 52: 8010-24 (2009) Article DOI: 10.1021/jm9013828 BindingDB Entry DOI: 10.7270/Q28W3DGF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM35585 (pyrazolo pyrimidine, 18) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1 Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	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