BDBM52014 3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione::3-ethyl-4-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione::5-ethyl-4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-4H-1,2,4-triazole-3-thiol::MLS001164489::SMR000497460::cid_1567820

SMILES CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1

InChI Key InChIKey=MWLVTUMJELRASM-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 52014   

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

Curated by PubChem BioAssay
LigandPNGBDBM52014(MLS001164489 | 3-ethyl-4-[[(Z)-2-methyl-3-phenylpr...)
Affinity DataIC50: 1.23E+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 Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52014(MLS001164489 | 3-ethyl-4-[[(Z)-2-methyl-3-phenylpr...)
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 Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52014(MLS001164489 | 3-ethyl-4-[[(Z)-2-methyl-3-phenylpr...)
Affinity DataIC50: 332nMAssay 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 Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52014(MLS001164489 | 3-ethyl-4-[[(Z)-2-methyl-3-phenylpr...)
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 Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM52014(MLS001164489 | 3-ethyl-4-[[(Z)-2-methyl-3-phenylpr...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay