BDBM39998 (E)-3-amino-2-[2-[[4-amino-5-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile::(E)-3-amino-2-[2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile::(E)-3-amino-2-[2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-butenenitrile::(E)-3-azanyl-2-[2-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile::MLS000056070::SMR000067174::cid_5742564

SMILES CC(=N)C(C#N)C(=O)CSc1nnc(Cc2ccccc2F)n1N

InChI Key InChIKey=SADVTHZVOJPMTK-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 39998   

TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39998(SMR000067174 | MLS000056070 | (E)-3-azanyl-2-[2-[[...)
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
TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39998(SMR000067174 | MLS000056070 | (E)-3-azanyl-2-[2-[[...)
Affinity DataIC50: 5.00E+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