BDBM50175022 CHEMBL3809057

SMILES: CC(C)c1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=GAYVUAXSKRVCTF-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 = 50175022   

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
p110α/p85α (Homo sapiens (Human))	BDBM50175022 (CHEMBL3809057) Show SMILES CC(C)c1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C17H11BrCl2N2OS/c18-10-3-1-4-11(7-10)21-17(23)15-9-24-16(22-15)8-12-13(19)5-2-6-14(12)20/h1-7,9H,8H2,(H,21,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi...				Bioorg Med Chem 24: 2897-2906 (2016) BindingDB Entry DOI: 10.7270/Q21J9CQT
					More data for this Ligand-Target Pair