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 c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N

InChI Key InChIKey=NWUAPELPCMQTDN-UHFFFAOYSA-N

Data  5 IC50

PDB links: 2 PDB IDs match this monomer.

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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-(carbamoylthio)-1-oxoethyl]amino]benzoic aci...)
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 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
LigandPNGBDBM52006(2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic aci...)
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
LigandPNGBDBM52006(2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic aci...)
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 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
LigandPNGBDBM52006(2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic aci...)
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 Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetCathepsin K(Human)
Shanghai Jiao-Tong University School of Medicine

Curated by ChEMBL
LigandPNGBDBM52006(2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic aci...)
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of cathepsin K (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)