BDBM61876 3-[(2-nitrophenyl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione::3-[[(2-nitrophenyl)thio]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione::4-allyl-3-[[(2-nitrophenyl)thio]methyl]-1H-1,2,4-triazole-5-thione::MLS001181552::SMR000567368::cid_2807230

SMILES [O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C

InChI Key InChIKey=VWFIHGWHMXSTAO-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 61876   

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

Curated by PubChem BioAssay
LigandPNGBDBM61876(3-[[(2-nitrophenyl)thio]methyl]-4-prop-2-enyl-1H-1...)
Affinity DataIC50: 2.24E+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
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61876(3-[[(2-nitrophenyl)thio]methyl]-4-prop-2-enyl-1H-1...)
Affinity DataIC50: 2.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61876(3-[[(2-nitrophenyl)thio]methyl]-4-prop-2-enyl-1H-1...)
Affinity DataIC50: 3.89E+4nMT: 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
TargetBcl-2-like protein 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61876(3-[[(2-nitrophenyl)thio]methyl]-4-prop-2-enyl-1H-1...)
Affinity DataIC50: 1.09E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay