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 = 'BDBM50426452'   

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))	BDBM50426452 (CHEMBL2322662) Show SMILES C[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C22H27F2N9O2/c1-14(25)19(34)30-6-8-31(9-7-30)20-27-21(32-10-12-35-13-11-32)29-22(28-20)33-16-5-3-2-4-15(16)26-18(33)17(23)24/h2-5,14,17H,6-13,25H2,1H3/t14-/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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate ...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50426452 (CHEMBL2322662) Show SMILES C[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C22H27F2N9O2/c1-14(25)19(34)30-6-8-31(9-7-30)20-27-21(32-10-12-35-13-11-32)29-22(28-20)33-16-5-3-2-4-15(16)26-18(33)17(23)24/h2-5,14,17H,6-13,25H2,1H3/t14-/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	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of wild type PI3K-alpha (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 100 uM ATP as...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
					More data for this Ligand-Target Pair