BDBM52042 (2S)-1-[1-oxo-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h][1]benzopyran-5-yl)oxy]ethyl]-2-pyrrolidinecarboxylic acid::(2S)-1-[2-[(2-keto-4,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]proline::(2S)-1-[2-[(4,8,8-trimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]ethanoyl]pyrrolidine-2-carboxylic acid::(2S)-1-[2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid::MLS001160389::SMR000652720::cid_11920923

SMILES Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12

InChI Key InChIKey=YVARRMRHNHPTMF-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 52042   

TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52042((2S)-1-[1-oxo-2-[(4,8,8-trimethyl-2-oxo-9,10-dihyd...)
Affinity DataIC50: 4.93E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52042((2S)-1-[1-oxo-2-[(4,8,8-trimethyl-2-oxo-9,10-dihyd...)
Affinity DataIC50: 1.52E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52042((2S)-1-[1-oxo-2-[(4,8,8-trimethyl-2-oxo-9,10-dihyd...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52042((2S)-1-[1-oxo-2-[(4,8,8-trimethyl-2-oxo-9,10-dihyd...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay