Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform' and Ligand = 'BDBM50044278'   

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 gamma isoform (Homo sapiens (Human))	BDBM50044278 (CHEMBL3356898) Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cn(C)cn3)sc2c1 Show InChI InChI=1S/C20H20N6O2S/c1-26-11-15(23-12-26)5-6-22-19(27)25-20-24-17-4-3-13(8-18(17)29-20)14-7-16(28-2)10-21-9-14/h3-4,7-12H,5-6H2,1-2H3,(H2,22,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis				J Med Chem 58: 517-21 (2015) Article DOI: 10.1021/jm500362j BindingDB Entry DOI: 10.7270/Q2K35W9M
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