Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM50389054'   

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 beta isoform (Homo sapiens (Human))	BDBM50389054 (CHEMBL2064411) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,24,27)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389054 (CHEMBL2064411) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,24,27)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair