BDBM54225 3-Chloro-N-{2,2,2-trichloro-1-[3-(2-chloro-phenyl)-thioureido]-ethyl}-benzamide::3-chloranyl-N-[2,2,2-tris(chloranyl)-1-[(2-chlorophenyl)carbamothioylamino]ethyl]benzamide::3-chloro-N-[2,2,2-trichloro-1-[(2-chlorophenyl)carbamothioylamino]ethyl]benzamide::3-chloro-N-[2,2,2-trichloro-1-[(2-chlorophenyl)thiocarbamoylamino]ethyl]benzamide::3-chloro-N-[2,2,2-trichloro-1-[[(2-chloroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide::MLS000562327::SMR000173993::cid_3093461

SMILES Clc1cccc(c1)C(=O)NC(NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl

InChI Key InChIKey=NSIGILGBPHSJEB-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 54225   

TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54225BDBM54225(3-Chloro-N-{2,2,2-trichloro-1-[3-(2-chloro-phenyl)...)
Affinity DataIC50: 3.72E+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 Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54225BDBM54225(3-Chloro-N-{2,2,2-trichloro-1-[3-(2-chloro-phenyl)...)
Affinity DataIC50: 3.78E+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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54225BDBM54225(3-Chloro-N-{2,2,2-trichloro-1-[3-(2-chloro-phenyl)...)
Affinity DataEC50:  5.81E+3nMAssay 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
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54225BDBM54225(3-Chloro-N-{2,2,2-trichloro-1-[3-(2-chloro-phenyl)...)
Affinity DataEC50:  2.00E+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:
7/8/2011
Entry Details
PCBioAssay