BDBM41852 2-[(1R)-1-carboxy-2-(2,4-dimethylphenyl)ethyl]-1,3-diketo-isoindoline-5-carboxylic acid::2-[(1R)-1-carboxy-2-(2,4-dimethylphenyl)ethyl]-1,3-dioxo-5-isoindolecarboxylic acid::2-[(1R)-1-carboxy-2-(2,4-dimethylphenyl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid::2-[(2R)-3-(2,4-dimethylphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid::NCGC00161794-01::cid_16752644

SMILES Cc1ccc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)c(C)c1

InChI Key InChIKey=AQUWSKNDVGLFFL-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 41852   

TargetBeta-lactamase(Escherichia coli (strain K12))
Ncgc

Curated by PubChem BioAssay
LigandPNGBDBM41852(2-[(1R)-1-carboxy-2-(2,4-dimethylphenyl)ethyl]-1,3...)
Affinity DataKi:  1.70E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH079825-01 Assay Provider: Shoichet, Bria...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2011
Entry Details
PCBioAssay