BDBM50420725 CHEMBL2087486

SMILES: CS(=O)(=O)N1CC2CN(Cc3cn4cc(nc(N5CCOCC5)c4n3)-c3cnc(N)nc3)CC2C1

InChI Key: InChIKey=JGMCCTDJMQSGDC-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 = 50420725   

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))	BDBM50420725 (CHEMBL2087486) Show SMILES CS(=O)(=O)N1CC2CN(Cc3cn4cc(nc(N5CCOCC5)c4n3)-c3cnc(N)nc3)CC2C1 Show InChI InChI=1S/C22H29N9O3S/c1-35(32,33)31-10-16-8-28(9-17(16)11-31)12-18-13-30-14-19(15-6-24-22(23)25-7-15)27-21(20(30)26-18)29-2-4-34-5-3-29/h6-7,13-14,16-17H,2-5,8-12H2,1H3,(H2,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	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