Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50525697'   

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))	BDBM50525697 (CHEMBL4457318) Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)c3coc(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C25H21N7O5/c1-36-24-16(10-26)7-17(11-27-24)15-4-5-21-20(8-15)23(29-14-28-21)30-19-3-2-6-31(12-19)25(33)18-9-22(32(34)35)37-13-18/h4-5,7-9,11,13-14,19H,2-3,6,12H2,1H3,(H,28,29,30)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3K alpha (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reage...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.051 BindingDB Entry DOI: 10.7270/Q2MC93GX
					More data for this Ligand-Target Pair