BDBM50429872 CHEMBL2332926

SMILES: CCCc1cc(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc2nc[nH]c2c1)S(C)(=O)=O

InChI Key: InChIKey=AAVDYCALQCJXLM-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 = 50429872   

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))	BDBM50429872 (CHEMBL2332926) Show SMILES CCCc1cc(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc2nc[nH]c2c1)S(C)(=O)=O Show InChI InChI=1S/C27H27N3O4S/c1-3-4-20-14-22(35(2,32)33)7-8-23(20)27(31)30-11-12-34-26-10-6-18(13-21(26)16-30)19-5-9-24-25(15-19)29-17-28-24/h5-10,13-15,17H,3-4,11-12,16H2,1-2H3,(H,28,29)	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	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 2 hrs by luminescence assay				J Med Chem 56: 2218-34 (2013) Article DOI: 10.1021/jm3007933 BindingDB Entry DOI: 10.7270/Q2ZC847X
					More data for this Ligand-Target Pair