BDBM50341424 CHEMBL4165063

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CCOCC2)c2nc(N)nc(C)c2c1

InChI Key: InChIKey=ORLRMKPNSOWEHM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50341424   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50341424 (CHEMBL4165063) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CCOCC2)c2nc(N)nc(C)c2c1 Show InChI InChI=1S/C27H27F2N5O5S/c1-15-20-9-17(11-23(25(20)33-27(30)32-15)39-14-16-5-7-38-8-6-16)18-10-22(26(37-2)31-13-18)34-40(35,36)24-4-3-19(28)12-21(24)29/h3-4,9-13,16,34H,5-8,14H2,1-2H3,(H2,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate by Kinase-Glo assay				J Med Chem 61: 6087-6109 (2018) Article DOI: 10.1021/acs.jmedchem.8b00416 BindingDB Entry DOI: 10.7270/Q28K7CNP
					More data for this Ligand-Target Pair