BDBM50240345 CHEMBL4089399

SMILES: COc1ccc(CN2CCc3c(C2)nc2c(nc(cn32)-c2cnc(N)nc2)N2CCOCC2)cc1

InChI Key: InChIKey=XSCRSPVRNPIYMF-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 = 50240345   

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))	BDBM50240345 (CHEMBL4089399) Show SMILES COc1ccc(CN2CCc3c(C2)nc2c(nc(cn32)-c2cnc(N)nc2)N2CCOCC2)cc1 Show InChI InChI=1S/C25H28N8O2/c1-34-19-4-2-17(3-5-19)14-31-7-6-22-21(15-31)30-24-23(32-8-10-35-11-9-32)29-20(16-33(22)24)18-12-27-25(26)28-13-18/h2-5,12-13,16H,6-11,14-15H2,1H3,(H2,26,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	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
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