Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM60189
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
2280±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:
BDBM60189
Synonyms:
2-[7-(4-methyl-1-piperazinyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile | 2-[7-(4-methylpiperazin-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile | 2-[7-(4-methylpiperazino)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]malononitrile | MLS001007142 | SMR000352400 | cid_4406525
Type:
Small organic molecule
Emp. Form.:
C18H22N4
Mol. Mass.:
294.3941
SMILES:
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](\C#N)C#N |t:8,10|
Structure:
Search PDB for entries with ligand similarity: