BDBM51973 (E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloranyl-5-nitro-phenyl)pent-4-enoic acid::(E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloro-5-nitro-phenyl)pent-4-enoic acid::(E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloro-5-nitrophenyl)-4-pentenoic acid::(E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloro-5-nitrophenyl)pent-4-enoic acid::MLS000416514::SMR000243458::cid_6236321

SMILES OC(=O)CC\C(=C/c1cc(ccc1Cl)[N+]([O-])=O)c1nc2ccccc2s1

InChI Key InChIKey=BDTWMPJAUNNKOC-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 = 51973   

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

Curated by PubChem BioAssay
LigandPNGBDBM51973(SMR000243458 | (E)-4-(1,3-benzothiazol-2-yl)-5-(2-...)
Affinity DataIC50: 1.33E+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
LigandPNGBDBM51973(SMR000243458 | (E)-4-(1,3-benzothiazol-2-yl)-5-(2-...)
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
LigandPNGBDBM51973(SMR000243458 | (E)-4-(1,3-benzothiazol-2-yl)-5-(2-...)
Affinity DataIC50: 4.17E+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
LigandPNGBDBM51973(SMR000243458 | (E)-4-(1,3-benzothiazol-2-yl)-5-(2-...)
Affinity DataIC50: 4.31E+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