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 = 'BDBM50202560'   

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))	BDBM50202560 (CHEMBL3905333) Show SMILES CNCCN(C)Cc1ccc(cc1)-c1ccnc2ccc(cc12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C32H31F2N5O3S/c1-35-14-15-39(2)20-21-4-6-22(7-5-21)26-12-13-36-29-10-8-23(16-27(26)29)24-17-30(32(42-3)37-19-24)38-43(40,41)31-11-9-25(33)18-28(31)34/h4-13,16-19,35,38H,14-15,20H2,1-3H3	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay				Eur J Med Chem 122: 684-701 (2016) Article DOI: 10.1016/j.ejmech.2016.06.030 BindingDB Entry DOI: 10.7270/Q2VD71FD
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