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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 31068   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/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 1.93E+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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/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 2.45E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
KEGG

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n/an/a 2.50E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
KEGG

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UniChem

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n/an/a 2.50E+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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/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 3.45E+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
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/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 5.46E+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/Q2319T8T
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/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 6.05E+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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/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 6.16E+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/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/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 6.41E+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/Q2PR7TCX
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/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 1.00E+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