Ki Summary

Reaction Details

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Target

Beta-lactamase

Ligand

BDBM51266

Substrate/Competitor

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

9371±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]

More Info.:

Get all data from this article, Assay Method

Beta-lactamase

Name:

Beta-lactamase

Synonyms:

Beta lactamase

Type:

Enzyme Catalytic Domain

Mol. Mass.:

31513.38

Organism:

Pseudomonas aeruginosa

Description:

gi_114881106

Residue:

286

Sequence:

MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRP
EERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVREL
CSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTM
PAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGS
RGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW

BDBM51266

n/a

Name

BDBM51266

Synonyms:

3-Benzoyl-5-(2-methoxy-phenyl)-1-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione | 3-benzoyl-5-(2-methoxyphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione | 3-benzoyl-5-(2-methoxyphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-quinone | 5-(2-methoxyphenyl)-1-phenyl-3-(phenylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione | MLS000769406 | SMR000434220 | cid_3565160

Type

Small organic molecule

Emp. Form.

C25H19N3O4

Mol. Mass.

425.4361

SMILES

COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)|

Structure