BDBM43495 5-(benzylthio)-2-(2-pyridyl)-2,3-dihydro-1,3,4-thiadiazole::5-(phenylmethylsulfanyl)-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole::5-(phenylmethylthio)-2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazole::5-benzylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole::MLS000861741::SMR000460525::cid_2746653

SMILES C(SC1=NNC(S1)c1ccccn1)c1ccccc1

InChI Key InChIKey=IQZPEFTWPLGMGB-UHFFFAOYSA-N

Data  1 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 3 hits for monomerid = 43495   

LigandChemical structure of BindingDB Monomer ID 43495BDBM43495(5-benzylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-...)
Affinity DataEC50:  1.24E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 43495BDBM43495(5-benzylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-...)
Affinity DataIC50: 3.15E+4nMAssay 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:
7/9/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 43495BDBM43495(5-benzylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-...)
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