BDBM39952 2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)ethanamide::2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide::2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-furfurylcarbamoyl)acetamide::2-[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide::MLS000057348::SMR000068795::cid_2514549

SMILES CCc1cc2c(nc(SCC(=O)NC(=O)NCc3ccco3)n(CC=C)c2=O)s1

InChI Key InChIKey=PKLHRLXSXUKYMP-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 39952   

TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39952(SMR000068795 | MLS000057348 | 2-(6-ethyl-4-oxo-3-p...)
Affinity DataIC50: 1.01E+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:
5/6/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39952(SMR000068795 | MLS000057348 | 2-(6-ethyl-4-oxo-3-p...)
Affinity DataIC50: 31.7nMAssay 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 beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39952(SMR000068795 | MLS000057348 | 2-(6-ethyl-4-oxo-3-p...)
Affinity DataIC50: 1.36E+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