BDBM51990 3-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-phenyl-4(1H)-pyridazinone::3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenyl-4-pyridazinone::3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenyl-pyridazin-4-one::3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenylpyridazin-4-one::3-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1-phenyl-pyridazin-4-one::MLS000763629::SMR000337209::cid_1481298

SMILES CCn1c(n[nH]c1=S)-c1nn(ccc1=O)-c1ccccc1

InChI Key InChIKey=KJYNRCUUXAKNHR-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 51990   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 51990BDBM51990(cid_1481298 | 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-...)
Affinity DataIC50: 8.57E+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
LigandChemical structure of BindingDB Monomer ID 51990BDBM51990(cid_1481298 | 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-...)
Affinity DataIC50: 2.97E+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
LigandChemical structure of BindingDB Monomer ID 51990BDBM51990(cid_1481298 | 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-...)
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
LigandChemical structure of BindingDB Monomer ID 51990BDBM51990(cid_1481298 | 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-...)
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