BDBM54839 2-benzylsulfonyl-5-chloro-N-(4-ethylphenyl)pyrimidine-4-carboxamide::5-chloranyl-N-(4-ethylphenyl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide::5-chloro-N-(4-ethylphenyl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide::MLS001116166::SMR000625771::cid_16446093

SMILES CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1

InChI Key InChIKey=MGUHUZDKJLVYSS-UHFFFAOYSA-N

Data  5 IC50  1 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 6 hits for monomerid = 54839   

TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54839(cid_16446093 | 5-chloranyl-N-(4-ethylphenyl)-2-(ph...)
Affinity DataIC50: 7.28E+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
TargetDelta-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54839(cid_16446093 | 5-chloranyl-N-(4-ethylphenyl)-2-(ph...)
Affinity DataIC50: 1.19E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54839(cid_16446093 | 5-chloranyl-N-(4-ethylphenyl)-2-(ph...)
Affinity DataIC50: 1.21E+4nMAssay 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 Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetToll-like receptor 9(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54839(cid_16446093 | 5-chloranyl-N-(4-ethylphenyl)-2-(ph...)
Affinity DataIC50: 1.28E+4nMAssay 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 Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54839(cid_16446093 | 5-chloranyl-N-(4-ethylphenyl)-2-(ph...)
Affinity DataIC50: 1.37E+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
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54839(cid_16446093 | 5-chloranyl-N-(4-ethylphenyl)-2-(ph...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay