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 = 'BDBM50426448'   

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))	BDBM50426448 (CHEMBL2322666) Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C25H33F2N9O2/c1-3-16(2)19(28)22(37)33-8-10-34(11-9-33)23-30-24(35-12-14-38-15-13-35)32-25(31-23)36-18-7-5-4-6-17(18)29-21(36)20(26)27/h4-7,16,19-20H,3,8-15,28H2,1-2H3/t16-,19-/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	6.30E+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))	BDBM50426448 (CHEMBL2322666) Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C25H33F2N9O2/c1-3-16(2)19(28)22(37)33-8-10-34(11-9-33)23-30-24(35-12-14-38-15-13-35)32-25(31-23)36-18-7-5-4-6-17(18)29-21(36)20(26)27/h4-7,16,19-20H,3,8-15,28H2,1-2H3/t16-,19-/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	9.20E+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