Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM66138
Substrate
n/a
Meas. Tech.
Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput counterscreen to identify inhibitors of TEM-1 metallo-beta-lactamase
IC50
>59640±n/a nM
Citation
 PubChem, PC Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput counterscreen to identify inhibitors of TEM-1 metallo-beta-lactamase PubChem Bioassay (2010)[AID] 
Target
Name:
Beta-lactamase
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
29494.42
Organism:
Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67
Description:
gi_60115532
Residue:
269
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTDGESGNYG
  
Inhibitor
Name:
BDBM66138
Synonyms:
3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylic acid methyl ester | 3-[[(4-cyanophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester | MLS001181721 | SMR000567383 | cid_2808363 | methyl 3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylate | methyl 3-[(4-cyanophenyl)carbonylamino]thiophene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C14H10N2O3S
Mol. Mass.:
286.306
SMILES:
COC(=O)c1sccc1NC(=O)c1ccc(cc1)C#N
Structure:
Search PDB for entries with ligand similarity: