BDBM51945 3-(2-furanyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione::3-(furan-2-yl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione::4-benzyl-3-(2-furyl)-1H-1,2,4-triazole-5-thione::4-benzyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione::MLS000028282::SMR000059258::cid_660619

SMILES S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1

InChI Key InChIKey=IIPXKZSQUBMCAG-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 = 51945   

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

Curated by PubChem BioAssay
LigandPNGBDBM51945(3-(2-furanyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5...)
Affinity DataIC50:  6.48E+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
LigandPNGBDBM51945(3-(2-furanyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5...)
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
LigandPNGBDBM51945(3-(2-furanyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5...)
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
LigandPNGBDBM51945(3-(2-furanyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5...)
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
LigandPNGBDBM51945(3-(2-furanyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5...)
Affinity DataIC50:  2.89E+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
LigandPNGBDBM51945(3-(2-furanyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5...)
Affinity DataIC50:  3.51E+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