BDBM40230 2-(3-Furan-2-ylmethyl-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H,5H-10-thia-1,3-diaza-benzo[a]azulen-1-yl)-N -phenyl-acetamide::2-[3-(2-furanylmethyl)-2,4-dioxo-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-1-yl]-N-phenylacetamide::2-[3-(2-furfuryl)-2,4-diketo-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-1-yl]-N-phenyl-acetamide::2-[3-(furan-2-ylmethyl)-2,4-bis(oxidanylidene)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-1-yl]-N-phenyl-ethanamide::2-[3-(furan-2-ylmethyl)-2,4-dioxo-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-1-yl]-N-phenylacetamide::MLS000559130::SMR000149446::cid_1954975

SMILES O=C(Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O)Nc1ccccc1

InChI Key InChIKey=YCSRTHAGBVGRFC-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 40230   

LigandPNGBDBM40230(SMR000149446 | 2-(3-Furan-2-ylmethyl-2,4-dioxo-3,4...)
Affinity DataIC50: 4.93E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40230(SMR000149446 | 2-(3-Furan-2-ylmethyl-2,4-dioxo-3,4...)
Affinity DataIC50: 6.57E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40230(SMR000149446 | 2-(3-Furan-2-ylmethyl-2,4-dioxo-3,4...)
Affinity DataIC50: 7.24E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40230(SMR000149446 | 2-(3-Furan-2-ylmethyl-2,4-dioxo-3,4...)
Affinity DataIC50: 2.49E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay