BDBM40526 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)ethanamide::2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide::2-[[5-(5-bromo-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide::2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide::2-{[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}-N-(3-fluorophenyl)acetamide::MLS000051239::SMR000079223::cid_1262055

SMILES CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1

InChI Key InChIKey=KPFUGGMLUBWBNK-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 = 40526   

TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40526(2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4...)
Affinity DataIC50: 2.82E+3nMT: 2°CAssay 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:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40526(2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4...)
Affinity DataIC50: 5.30E+3nMT: 2°CAssay 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:
8/3/2011
Entry Details
PCBioAssay
TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40526(2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4...)
Affinity DataEC50:  1.11E+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