BDBM50625553 CHEMBL5396807

SMILES CCOC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS

InChI Key InChIKey=PUOMKKVEJFJZFE-UHFFFAOYSA-N

Data  2 KI  1 IC50

PDB links: 4 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50625553   

TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
University Sains Malaysia

Curated by ChEMBL
LigandPNGBDBM50625553(CHEMBL5396807)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of NDM-1 in Escherichia coli assessed as reduction in imipenem hydrolytic activityMore data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
University Sains Malaysia

Curated by ChEMBL
LigandPNGBDBM50625553(CHEMBL5396807)
Affinity DataKi:  600nMAssay Description:Binding affinity to bacterial NDM-1 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa)
University Sains Malaysia

Curated by ChEMBL
LigandPNGBDBM50625553(CHEMBL5396807)
Affinity DataKi:  1.90E+3nMAssay Description:Binding affinity to Metallo-beta-lactamase VIM-2 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)