Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM66149
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
28143±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:
BDBM66149
Synonyms:
2-azanylidene-7-(diethylamino)-N-[(4-fluorophenyl)methyl]chromene-3-carboxamide | 7-(diethylamino)-N-(4-fluorobenzyl)-2-imino-chromene-3-carboxamide | 7-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-imino-1-benzopyran-3-carboxamide | 7-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-iminochromene-3-carboxamide | MLS001229989 | SMR000678657 | cid_19289050
Type:
Small organic molecule
Emp. Form.:
C21H22FN3O2
Mol. Mass.:
367.4167
SMILES:
CCN(CC)c1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=N)oc2c1
Structure:
Search PDB for entries with ligand similarity: