BDBM87585 7-Ethyl-1,3-dimethyl-8-(4-propionyl-phenoxy)-3,7-dihydro-purine-2,6-dione::7-ethyl-1,3-dimethyl-8-(4-propanoylphenoxy)purine-2,6-dione::7-ethyl-1,3-dimethyl-8-(4-propionylphenoxy)xanthine::7-ethyl-1,3-dimethyl-8-[4-(1-oxopropyl)phenoxy]purine-2,6-dione::MLS001208850::SMR000525053::cid_5300283

SMILES: CCC(=O)c1ccc(Oc2nc3n(C)c(=O)n(C)c(=O)c3n2CC)cc1

InChI Key: InChIKey=FBNXZXZTDRYJKK-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 = 87585   

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
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human))	BDBM87585 (7-Ethyl-1,3-dimethyl-8-(4-propionyl-phenoxy)-3,7-d...) Show SMILES CCC(=O)c1ccc(Oc2nc3n(C)c(=O)n(C)c(=O)c3n2CC)cc1 Show InChI InChI=1S/C18H20N4O4/c1-5-13(23)11-7-9-12(10-8-11)26-17-19-15-14(22(17)6-2)16(24)21(4)18(25)20(15)3/h7-10H,5-6H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2C24V0K
					More data for this Ligand-Target Pair