BDBM41597 2,3-dimethyl-4-{[(phenylsulfonyl)oxy]imino}-2,5-cyclohexadien-1-one::MLS000535052::SMR000142489::[(2,3-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate::[(2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate::benzenesulfonic acid [(2,3-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester::benzenesulfonic acid [(4-keto-2,3-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::cid_1587413

SMILES CC1=C(C)C(C=CC1=O)=NOS(=O)(=O)c1ccccc1

InChI Key InChIKey=HBNYMWXXUGEESV-UHFFFAOYSA-N

Data  6 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 41597   

TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41597(cid_1587413 | [(2,3-dimethyl-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 4.33E+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
LigandPNGBDBM41597(cid_1587413 | [(2,3-dimethyl-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 2.65E+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
TargetMannose-6-phosphate isomerase(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41597(cid_1587413 | [(2,3-dimethyl-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 6.61E+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:
6/4/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41597(cid_1587413 | [(2,3-dimethyl-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 2.69E+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
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41597(cid_1587413 | [(2,3-dimethyl-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 3.29E+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
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41597(cid_1587413 | [(2,3-dimethyl-4-oxocyclohexa-2,5-di...)
Affinity DataIC50: 2.69E+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