BDBM52046 MLS001237880::N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide::N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide::N-[5-[[2-[(2-chlorobenzyl)amino]-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide::N-[5-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide::SMR000806407::cid_8483299

SMILES Clc1ccccc1CNC(=O)CSc1nnc(NC(=O)C2CC2)s1

InChI Key InChIKey=OYZLWPCCMFZWCL-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 52046   

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

Curated by PubChem BioAssay
LigandPNGBDBM52046(N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxidanylid...)
Affinity DataIC50: 4.62E+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
LigandPNGBDBM52046(N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxidanylid...)
Affinity DataIC50: 1.67E+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
LigandPNGBDBM52046(N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxidanylid...)
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
LigandPNGBDBM52046(N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxidanylid...)
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