BDBM37248 MLS000112230::N-(2-tert-butylsulfanylethyl)benzenesulfonamide::N-[2-(tert-butylthio)ethyl]benzenesulfonamide::SMR000108144::cid_2277133

SMILES CC(C)(C)SCCNS(=O)(=O)c1ccccc1

InChI Key InChIKey=JZCSSWGQCGUTIB-UHFFFAOYSA-N

Data  2 IC50  3 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 5 hits for monomerid = 37248   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37248BDBM37248(N-(2-tert-butylsulfanylethyl)benzenesulfonamide | ...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37248BDBM37248(N-(2-tert-butylsulfanylethyl)benzenesulfonamide | ...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37248BDBM37248(N-(2-tert-butylsulfanylethyl)benzenesulfonamide | ...)
Affinity DataEC50: >9.50E+4nMAssay 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:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37248BDBM37248(N-(2-tert-butylsulfanylethyl)benzenesulfonamide | ...)
Affinity DataEC50: >9.50E+4nMAssay 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:
4/29/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37248BDBM37248(N-(2-tert-butylsulfanylethyl)benzenesulfonamide | ...)
Affinity DataEC50: >9.51E+4nMAssay 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:
4/28/2011
Entry Details
PCBioAssay