BDBM66115 2-[7-(1-azepanyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile::2-[7-(azepan-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]malononitrile::2-[7-(azepan-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile::MLS000391930::SMR000260963::cid_3614365

SMILES N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1

InChI Key InChIKey=BGGDEFKPEMIBMY-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 66115   

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

Curated by PubChem BioAssay
LigandPNGBDBM66115(2-[7-(1-azepanyl)-4,4a,5,6-tetrahydro-3H-naphthale...)
Affinity DataIC50:  2.51E+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
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM66115(2-[7-(1-azepanyl)-4,4a,5,6-tetrahydro-3H-naphthale...)
Affinity DataIC50:  2.78E+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
TargetBeta-lactamase(Salmonella enterica subsp. enterica serovar Choler...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM66115(2-[7-(1-azepanyl)-4,4a,5,6-tetrahydro-3H-naphthale...)
Affinity DataIC50:  1.04E+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