BDBM52021 (2S)-2-[2-[(8,8-dimethyl-2-oxidanylidene-4-propyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]ethanoylamino]propanoic acid::(2S)-2-[[2-[(2-keto-8,8-dimethyl-4-propyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]propionic acid::(2S)-2-[[2-[(8,8-dimethyl-2-oxo-4-propyl-9,10-dihydropyrano[2,3-h][1]benzopyran-5-yl)oxy]-1-oxoethyl]amino]propanoic acid::(2S)-2-[[2-[(8,8-dimethyl-2-oxo-4-propyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]propanoic acid::MLS001201773::SMR000544922::cid_8016786

SMILES CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](C)C(O)=O)c12

InChI Key InChIKey=LAZOUVLTXAEPOD-LBPRGKRZSA-N

Data  4 IC50  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 52021   

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

Curated by PubChem BioAssay
LigandPNGBDBM52021((2S)-2-[2-[(8,8-dimethyl-2-oxidanylidene-4-propyl-...)
Affinity DataIC50:  2.13E+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 DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52021((2S)-2-[2-[(8,8-dimethyl-2-oxidanylidene-4-propyl-...)
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 DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM52021((2S)-2-[2-[(8,8-dimethyl-2-oxidanylidene-4-propyl-...)
Affinity DataEC50: >2.60E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52021((2S)-2-[2-[(8,8-dimethyl-2-oxidanylidene-4-propyl-...)
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 DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52021((2S)-2-[2-[(8,8-dimethyl-2-oxidanylidene-4-propyl-...)
Affinity DataIC50:  6.97E+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 DepthDetails PCBioAssay