BDBM50202549 CHEMBL3951052

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN4CCN(CCO)CC4)cc3)c2c1

InChI Key: InChIKey=PVMLGIUZPIXOHY-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 = 50202549   

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))	BDBM50202549 (CHEMBL3951052) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN4CCN(CCO)CC4)cc3)c2c1 Show InChI InChI=1S/C34H33F2N5O4S/c1-45-34-32(39-46(43,44)33-9-7-27(35)20-30(33)36)19-26(21-38-34)25-6-8-31-29(18-25)28(10-11-37-31)24-4-2-23(3-5-24)22-41-14-12-40(13-15-41)16-17-42/h2-11,18-21,39,42H,12-17,22H2,1H3	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	1.20	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