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BDBM31067 4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-mesyl-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine::MLS000044648::SMR000022592::cid_3244140

SMILES: COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=HVRDEPLCFBDXSG-UHFFFAOYSA-N

Data: 9 IC50  1 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 10 hits for monomerid = 31067   
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))
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 3.59E+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)
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 2.91E+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
Bfl-1


(Mus musculus (Mouse))
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 2.54E+4n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves c...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2N014W6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 5.18E+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
Hsf1 protein


(Mus musculus)
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/an/an/a 5.47E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 7.73E+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))
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 7.15E+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
Bfl-1


(Mus musculus (Mouse))
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K072NW
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 4.51E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K072NW
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 2.32E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair