Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM79817
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA)
IC50
2560±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA) PubChem Bioassay (2011)[AID] 
Target
Name:
Beta-lactamase
Synonyms:
Beta lactamase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
31513.38
Organism:
Pseudomonas aeruginosa
Description:
gi_114881106
Residue:
286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
  
Inhibitor
Name:
BDBM79817
Synonyms:
7-(diethylamino)-3-(1-methyl-2-benzimidazolyl)-1-benzopyran-2-one | 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one | 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)coumarin | MLS000106045 | SMR000103016 | cid_100335
Type:
Small organic molecule
Emp. Form.:
C21H21N3O2
Mol. Mass.:
347.4103
SMILES:
CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
Structure:
Search PDB for entries with ligand similarity: