BDBM71156 (3Z)-3-(benzenesulfonylimino)-4-oxo-2-(3-propan-2-yl-1-imidazol-3-iumyl)-1-naphthalenolate::(3Z)-3-(benzenesulfonylimino)-4-oxo-2-(3-propan-2-ylimidazol-3-ium-1-yl)naphthalen-1-olate::(3Z)-3-besylimino-2-(3-isopropylimidazol-3-ium-1-yl)-4-keto-naphthalen-1-olate::(3Z)-4-oxidanylidene-3-(phenylsulfonylimino)-2-(3-propan-2-ylimidazol-3-ium-1-yl)naphthalen-1-olate::MLS001012289::SMR000425092::cid_16411740

SMILES CC(C)[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O

InChI Key InChIKey=OBMFBWAHZTYUSZ-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 = 71156   

TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 71156BDBM71156((3Z)-4-oxidanylidene-3-(phenylsulfonylimino)-2-(3-...)
Affinity DataIC50: 7.16E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 71156BDBM71156((3Z)-4-oxidanylidene-3-(phenylsulfonylimino)-2-(3-...)
Affinity DataIC50: 1.15E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 71156BDBM71156((3Z)-4-oxidanylidene-3-(phenylsulfonylimino)-2-(3-...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay