BDBM50240361 CHEMBL4070943

SMILES: CS(=O)(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=ZTBMGHVZAZIFDV-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 = 50240361   

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))	BDBM50240361 (CHEMBL4070943) Show SMILES CS(=O)(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-13-15(11-25)26-10-14(12-8-20-18(19)21-9-12)23-16(17(26)22-13)24-4-6-29-7-5-24/h8-10H,2-7,11H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	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 full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					More data for this Ligand-Target Pair