BDBM50202545 CHEMBL3949358

SMILES: Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1N1CCOCC1)-c1ccc2nccc(-c3ccc(CN4CCOCC4)cc3)c2c1

InChI Key: InChIKey=CCHGPWMVOSKZLP-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 = 50202545   

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))	BDBM50202545 (CHEMBL3949358) Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1N1CCOCC1)-c1ccc2nccc(-c3ccc(CN4CCOCC4)cc3)c2c1 Show InChI InChI=1S/C35H33F2N5O4S/c36-28-6-8-34(31(37)21-28)47(43,44)40-33-20-27(22-39-35(33)42-13-17-46-18-14-42)26-5-7-32-30(19-26)29(9-10-38-32)25-3-1-24(2-4-25)23-41-11-15-45-16-12-41/h1-10,19-22,40H,11-18,23H2	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	n/a	n/a	1.10	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
					More data for this Ligand-Target Pair