BDBM50342406 CHEMBL4167641

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CCCO2)c2nc(N)nc(C)c2c1

InChI Key: InChIKey=GWPDIUMFLITIDY-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 = 50342406   

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))	BDBM50342406 (CHEMBL4167641) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CCCO2)c2nc(N)nc(C)c2c1 Show InChI InChI=1S/C26H25F2N5O5S/c1-14-19-8-15(10-22(24(19)32-26(29)31-14)38-13-18-4-3-7-37-18)16-9-21(25(36-2)30-12-16)33-39(34,35)23-6-5-17(27)11-20(23)28/h5-6,8-12,18,33H,3-4,7,13H2,1-2H3,(H2,29,31,32)	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	1.10	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