BDBM58061 (3Z)-2-(3-amylimidazol-3-ium-1-yl)-3-brosylimino-4-keto-naphthalen-1-olate::(3Z)-3-(4-bromophenyl)sulfonylimino-4-oxidanylidene-2-(3-pentylimidazol-3-ium-1-yl)naphthalen-1-olate::(3Z)-3-(4-bromophenyl)sulfonylimino-4-oxo-2-(3-pentyl-1-imidazol-3-iumyl)-1-naphthalenolate::(3Z)-3-(4-bromophenyl)sulfonylimino-4-oxo-2-(3-pentylimidazol-3-ium-1-yl)naphthalen-1-olate::MLS000768825::SMR000432129::cid_16411549

SMILES CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O

InChI Key InChIKey=CXWJBYBYQKLQSF-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 58061   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 58061BDBM58061(SMR000432129 | cid_16411549 | MLS000768825 | (3Z)-...)
Affinity DataIC50: 9.66E+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 58061BDBM58061(SMR000432129 | cid_16411549 | MLS000768825 | (3Z)-...)
Affinity DataIC50: 1.33E+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 58061BDBM58061(SMR000432129 | cid_16411549 | MLS000768825 | (3Z)-...)
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
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 58061BDBM58061(SMR000432129 | cid_16411549 | MLS000768825 | (3Z)-...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay