BDBM52034 (2R)-1-[2-(4-ethyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]proline::(2R)-1-[2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]pyrrolidine-2-carboxylic acid::(2R)-1-[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid::(2R)-1-[2-[(4-ethyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-2-pyrrolidinecarboxylic acid::MLS001139413::SMR000647073::cid_6569385

SMILES CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(O)=O)ccc12

InChI Key InChIKey=OPILUJXCVXAIRR-UHFFFAOYSA-N

Data  5 IC50

  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 = 52034   

TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52034((2R)-1-[2-(4-ethyl-8-methyl-2-oxidanylidene-chrome...)
Affinity DataIC50: 1.65E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52034((2R)-1-[2-(4-ethyl-8-methyl-2-oxidanylidene-chrome...)
Affinity DataIC50: 8.96E+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
LigandPNGBDBM52034((2R)-1-[2-(4-ethyl-8-methyl-2-oxidanylidene-chrome...)
Affinity DataIC50: 2.09E+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
LigandPNGBDBM52034((2R)-1-[2-(4-ethyl-8-methyl-2-oxidanylidene-chrome...)
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
LigandPNGBDBM52034((2R)-1-[2-(4-ethyl-8-methyl-2-oxidanylidene-chrome...)
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