BDBM51941 MLS000034517::N-[[4-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester::N-[[4-(3-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester::SMR000000778::[4-(3-Methoxy-phenyl)-5-thioxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylmethyl]-carbamic acid tert-butyl ester::cid_1448423::tert-butyl N-[[4-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]carbamate

SMILES COc1cccc(c1)-n1c(CNC(=O)OC(C)(C)C)n[nH]c1=S

InChI Key InChIKey=VCXIEIVDPOQXSN-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 51941   

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

Curated by PubChem BioAssay
LigandPNGBDBM51941(MLS000034517 | SMR000000778 | [4-(3-Methoxy-phenyl...)
Affinity DataIC50: 1.57E+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
LigandPNGBDBM51941(MLS000034517 | SMR000000778 | [4-(3-Methoxy-phenyl...)
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
LigandPNGBDBM51941(MLS000034517 | SMR000000778 | [4-(3-Methoxy-phenyl...)
Affinity DataIC50: 7.83E+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
LigandPNGBDBM51941(MLS000034517 | SMR000000778 | [4-(3-Methoxy-phenyl...)
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