BDBM78525 MLS000032400::N-(2-Methoxy-phenyl)-2-[5-(2-methyl-furan-3-yl)-4-phenethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide::N-(2-methoxyphenyl)-2-[[5-(2-methyl-3-furanyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(2-methoxyphenyl)-2-[[5-(2-methyl-3-furyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide::N-(2-methoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-(2-methoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide::SMR000005720::cid_655644

SMILES COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1

InChI Key InChIKey=XZGNQPWVGNHGDK-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 = 78525   

TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78525(MLS000032400 | N-(2-Methoxy-phenyl)-2-[5-(2-methyl...)
Affinity DataIC50:  9.91E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78525(MLS000032400 | N-(2-Methoxy-phenyl)-2-[5-(2-methyl...)
Affinity DataIC50:  8.82E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78525(MLS000032400 | N-(2-Methoxy-phenyl)-2-[5-(2-methyl...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay