BDBM52006 2-(2-aminocarbonylsulfanylethanoylamino)benzoic acid::2-[(2-carbamoylsulfanylacetyl)amino]benzoic acid::2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic acid::2-[[2-(carbamoylthio)acetyl]amino]benzoic acid::MLS000737416::SMR000528134::cid_224665

SMILES NC(=O)SCC(=O)Nc1ccccc1C(O)=O

InChI Key InChIKey=NWUAPELPCMQTDN-UHFFFAOYSA-N

Data  5 IC50

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 52006   

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

Curated by PubChem BioAssay
LigandPNGBDBM52006(2-(2-aminocarbonylsulfanylethanoylamino)benzoic ac...)
Affinity DataIC50:  1.23E+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 DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52006(2-(2-aminocarbonylsulfanylethanoylamino)benzoic ac...)
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 DepthDetails PCBioAssay
TargetCathepsin K(Homo sapiens (Human))
Shanghai Jiao-Tong University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM52006(2-(2-aminocarbonylsulfanylethanoylamino)benzoic ac...)
Affinity DataIC50:  8.00E+4nMAssay Description:Inhibition of cathepsin K (unknown origin)More data for this Ligand-Target Pair
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52006(2-(2-aminocarbonylsulfanylethanoylamino)benzoic ac...)
Affinity DataIC50:  2.41E+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 DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52006(2-(2-aminocarbonylsulfanylethanoylamino)benzoic ac...)
Affinity DataIC50:  5.27E+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 DepthDetails PCBioAssay