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BDBM31064 4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine::4-(2-furyl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine::4-(2-furyl)-2-mesyl-6-(trifluoromethyl)pyrimidine::4-(furan-2-yl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine::MLS000044646::SMR000022590::cid_3237865

SMILES: CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1

InChI Key: InChIKey=DYLWYHLPRCPPQD-UHFFFAOYSA-N

Data: 11 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 31064   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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UniChem
n/an/a 3.30E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2S46Q8P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a 2.26E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a 4.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2D50KC1
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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MMDB

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UniChem
n/an/a 6.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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UniChem
n/an/a 1.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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UniChem
n/an/a 3.81E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a 2.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/an/an/a>3.80E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/an/an/a>3.80E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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UniChem
n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a>1.86E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair