BDBM109313 US8609666, 33

SMILES: COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(F)c1O)C(O)=O

InChI Key: InChIKey=NSAQKVDBRBOKFT-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 = 109313   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM109313 (US8609666, 33) Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(F)c1O)C(O)=O Show InChI InChI=1S/C22H24FN5O5/c1-27(6-9-32-2)16-12-15(21(30)31)24-19-17(13-4-3-5-14(23)20(13)29)25-22(26-18(16)19)28-7-10-33-11-8-28/h3-5,12,29H,6-11H2,1-2H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US8609666 (2013) BindingDB Entry DOI: 10.7270/Q26M35G5
					More data for this Ligand-Target Pair