BDBM50240355 CHEMBL4105273

SMILES: Nc1ncc(cn1)-c1cn2c3CN(CC4CC4)CCc3nc2c(n1)N1CCOCC1

InChI Key: InChIKey=JMKRKSWEAVZZPK-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 = 50240355   

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))	BDBM50240355 (CHEMBL4105273) Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CC4CC4)CCc3nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C21H26N8O/c22-21-23-9-15(10-24-21)17-12-29-18-13-27(11-14-1-2-14)4-3-16(18)25-20(29)19(26-17)28-5-7-30-8-6-28/h9-10,12,14H,1-8,11,13H2,(H2,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	676	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