BDBM31068 2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl)pyrimidine::2-mesyl-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine::2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine::MLS000044645::SMR000022589::US11725000, Compound 1::cid_3245258

SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1

InChI Key InChIKey=OACAJASVXJLTAT-UHFFFAOYSA-N

Data  10 IC50  6 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 31068   

Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataIC50: 2.45E+3nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2009
Entry Details
PCBioAssay
Target5-hydroxytryptamine receptor 1E(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataIC50: 1.93E+3nMpH: 7.4 T: 2°CAssay Description:To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2009
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataIC50: 3.45E+3nMAssay Description:External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataIC50: 6.05E+3nMAssay Description:Source (MLSCN 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:
4/30/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataIC50: 6.41E+3nMAssay Description:Source (MLSCN 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:
4/30/2011
Entry Details
PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataIC50: 6.16E+3nMAssay Description:Source (MLSCN 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:
4/30/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataIC50: 5.46E+3nMAssay Description:Source (MLSCN 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:
4/30/2011
Entry Details
PCBioAssay
TargetGeneral amino acid permease AGP1(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataEC50:  872nMAssay 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
Target60S ribosomal protein L19-A(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
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
TargetVacuolar aminopeptidase 1(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataEC50:  3.05E+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
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataIC50: 2.50E+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
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
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
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataIC50: 2.50E+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
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataEC50:  749nMAssay Description:Inhibition of SDHB in human U2OS cells over-expressing Bim assessed as inhibition of apoptosis preincubated for 1 hr followed by doxycyclin addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2019
Entry Details Article
PubMed
LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataEC50:  749nMAssay Description:In order to identify the target protein of tTC09 apoptosis inhibitors, we synthesized two sets of probes for target identification based on the SAR s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2023
Entry Details
Go to US Patent

LigandPNGBDBM31068(MLS000044645 | cid_3245258 | 2-methylsulfonyl-4-th...)
Affinity DataEC50:  5.50E+3nMAssay Description:In order to identify the target protein of tTC09 apoptosis inhibitors, we synthesized two sets of probes for target identification based on the SAR s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2023
Entry Details
Go to US Patent