BDBM61623 2-[7-(4-ethyl-1-piperazinyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile::2-[7-(4-ethylpiperazin-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile::2-[7-(4-ethylpiperazino)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]malononitrile::MLS001004661::SMR000348199::cid_3596034

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

InChI Key InChIKey=GPJCTXGNUUURPT-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 61623   

TargetG-protein coupled receptor 35(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61623(2-[7-(4-ethylpiperazin-1-yl)-4,4a,5,6-tetrahydro-3...)
Affinity DataIC50: 1.67E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61623(2-[7-(4-ethylpiperazin-1-yl)-4,4a,5,6-tetrahydro-3...)
Affinity DataIC50: 3.70E+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:
7/11/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Salmonella enterica subsp. enterica serovar Choler...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61623(2-[7-(4-ethylpiperazin-1-yl)-4,4a,5,6-tetrahydro-3...)
Affinity DataIC50: 3.08E+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:
7/11/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61623(2-[7-(4-ethylpiperazin-1-yl)-4,4a,5,6-tetrahydro-3...)
Affinity DataIC50: 4.23E+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:
7/11/2011
Entry Details
PCBioAssay