BDBM50420707 CHEMBL2087467

SMILES: CC(=O)Nc1ccc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1

InChI Key: InChIKey=VJUNWGUVXUKGBH-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 = 50420707   

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))	BDBM50420707 (CHEMBL2087467) Show SMILES CC(=O)Nc1ccc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C23H30N8O4S/c1-17(32)25-21-4-3-18(13-24-21)20-16-30-15-19(14-28-5-7-31(8-6-28)36(2,33)34)26-22(30)23(27-20)29-9-11-35-12-10-29/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,24,25,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair