BDBM50420721 CHEMBL2087481

SMILES: CS(=O)(=O)C1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1

InChI Key: InChIKey=PQMTULVZXQPOKJ-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 = 50420721   

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))	BDBM50420721 (CHEMBL2087481) Show SMILES CS(=O)(=O)C1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C21H28N8O3S/c1-33(30,31)17-2-4-27(5-3-17)12-16-13-29-14-18(15-10-23-21(22)24-11-15)26-20(19(29)25-16)28-6-8-32-9-7-28/h10-11,13-14,17H,2-9,12H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28.7	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