BDBM54419 1-(3-Allylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(4-fluoro-phenyl)-urea::1-(4-fluorophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea::1-(4-fluorophenyl)-3-[3-(prop-2-enylthio)-1,2,4-thiadiazol-5-yl]urea::1-[3-(allylthio)-1,2,4-thiadiazol-5-yl]-3-(4-fluorophenyl)urea::MLS001205800::SMR000504083::cid_3671778

SMILES Fc1ccc(NC(=O)Nc2nc(SCC=C)ns2)cc1

InChI Key InChIKey=KESQPYQLWULQEX-UHFFFAOYSA-N

Data  3 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 5 hits for monomerid = 54419   

TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54419(1-(3-Allylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(4-fl...)
Affinity DataIC50:  2.93E+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 DepthDetails PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54419(1-(3-Allylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(4-fl...)
Affinity DataEC50:  2.34E+4nMAssay 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 DepthDetails PCBioAssay
TargetRecBCD enzyme subunit RecD(Escherichia coli str. K-12 substr. MG1655)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54419(1-(3-Allylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(4-fl...)
Affinity DataIC50: >1.19E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54419(1-(3-Allylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(4-fl...)
Affinity DataIC50:  2.64E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54419(1-(3-Allylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(4-fl...)
Affinity DataEC50:  3.56E+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 DepthDetails PCBioAssay