BDBM50420726 CHEMBL2087487

SMILES: CS(=O)(=O)N1CCC2(CN(Cc3cn4cc(nc(N5CCOCC5)c4n3)-c3cnc(N)nc3)C2)CC1

InChI Key: InChIKey=YVSPGMBGYKAOMM-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 = 50420726   

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))	BDBM50420726 (CHEMBL2087487) Show SMILES CS(=O)(=O)N1CCC2(CN(Cc3cn4cc(nc(N5CCOCC5)c4n3)-c3cnc(N)nc3)C2)CC1 Show InChI InChI=1S/C23H31N9O3S/c1-36(33,34)32-4-2-23(3-5-32)15-29(16-23)12-18-13-31-14-19(17-10-25-22(24)26-11-17)28-21(20(31)27-18)30-6-8-35-9-7-30/h10-11,13-14H,2-9,12,15-16H2,1H3,(H2,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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