BDBM43506 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropionic acid ethyl ester::3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanoic acid ethyl ester::MLS000051020::SMR000078801::cid_2219262::ethyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate::ethyl 3-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl}propanoate

SMILES CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1

InChI Key InChIKey=KAGZAFKDOSGALN-UHFFFAOYSA-N

Data  8 IC50  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 43506   

TargetSignal transducer and activator of transcription 3 [702-738,740-752](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataIC50: 2.42E+4nMAssay Description:Source (MLPCN 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:
5/28/2011
Entry Details
PCBioAssay
TargetSignal transducer and activator of transcription 1-alpha/beta(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataIC50: 1.02E+4nMAssay Description:Source (MLPCN 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:
5/21/2011
Entry Details
PCBioAssay
TargetMatrix metalloproteinase-14 [1-36](Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataEC50:  1.57E+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:
5/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataIC50: 3.58E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetGeneral amino acid permease AGP1(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataEC50:  941nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetVacuolar aminopeptidase 1(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataEC50: >3.30E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataIC50: 2.18E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataEC50:  7.25E+3nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataEC50:  3.23E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataIC50: 2.18E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetToll-like receptor 9(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataIC50: 1.10E+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
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43506(3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sul...)
Affinity DataIC50: 2.82E+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