BDBM51971 3-(3-benzoxy-2-thienyl)-4-methyl-1H-1,2,4-triazole-5-thione::4-methyl-3-(3-phenylmethoxy-2-thiophenyl)-1H-1,2,4-triazole-5-thione::4-methyl-3-(3-phenylmethoxythiophen-2-yl)-1H-1,2,4-triazole-5-thione::5-[3-(benzyloxy)-2-thienyl]-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide::MLS000325718::SMR000169679::cid_1482495

SMILES Cn1c(n[nH]c1=S)-c1sccc1OCc1ccccc1

InChI Key InChIKey=SKYWRIUZQXTRGB-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 51971   

TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51971(3-(3-benzoxy-2-thienyl)-4-methyl-1H-1,2,4-triazole...)
Affinity DataIC50:  5.46E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51971(3-(3-benzoxy-2-thienyl)-4-methyl-1H-1,2,4-triazole...)
Affinity DataIC50:  5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51971(3-(3-benzoxy-2-thienyl)-4-methyl-1H-1,2,4-triazole...)
Affinity DataIC50: >1.00E+5nMT: 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 DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51971(3-(3-benzoxy-2-thienyl)-4-methyl-1H-1,2,4-triazole...)
Affinity DataIC50:  5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51971(3-(3-benzoxy-2-thienyl)-4-methyl-1H-1,2,4-triazole...)
Affinity DataIC50:  2.80E+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 DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51971(3-(3-benzoxy-2-thienyl)-4-methyl-1H-1,2,4-triazole...)
Affinity DataIC50:  1.20E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay