BDBM40512 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}thio)-N-(5-methylisoxazol-3-yl)acetamide::2-[(3-homoveratryl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide::2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide::2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide::2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide::MLS000095574::SMR000031125::cid_3242940

SMILES COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1OC

InChI Key InChIKey=MZIAIURGYCSNAG-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  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 = 40512   

TargetEstrogen receptor(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40512(2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dih...)
Affinity DataEC50:  1.28E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetADP-ribosylation factor GTPase-activating protein 1(Rattus norvegicus)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40512(2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dih...)
Affinity DataIC50:  4.40E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetNeutrophil cytosol factor 1 [S99G](Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40512(2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dih...)
Affinity DataIC50:  5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay