BDBM34707 MLS000571067::SMR000150695::[(2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate::[(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate::benzenesulfonic acid [(2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester::benzenesulfonic acid [(4-keto-2,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::cid_2303313

SMILES Oc1cc(=C)c(NOS(=O)(=O)c2ccccc2)cc1=C

InChI Key InChIKey=JNZLKQWCDQPZFY-UHFFFAOYSA-N

Data  8 IC50  2 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 10 hits for monomerid = 34707   

TargetMannose-6-phosphate isomerase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataIC50: 3.73E+3nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataIC50: 3.71E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataIC50: 2.39E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataIC50: 1.12E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetMitochondrial import inner membrane translocase subunit TIM10(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataIC50: 300nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataIC50: 2.94E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetMitochondrial import inner membrane translocase subunit TIM23(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataIC50: 200nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataIC50: 1.12E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDelta-type opioid receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34707(SMR000150695 | [(2,5-dimethyl-4-oxocyclohexa-2,5-d...)
Affinity DataEC50: >9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay