BDBM31052 1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea::1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea::1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-tris(fluoranyl)-2-(trifluoromethyl)butan-2-yl]urea::MLS000038681::SMR000040781::cid_659822

SMILES CCC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F

InChI Key InChIKey=QFLKFRPNISNYBS-UHFFFAOYSA-N

Data  13 IC50  3 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 31052   

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

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50:  6.92E+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 DepthDetails PCBioAssay
TargetGalanin receptor type 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50: >3.33E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataEC50: >9.50E+4nMAssay 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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataEC50: >9.51E+4nMAssay 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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataEC50: >9.50E+4nMAssay 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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50: >1.24E+4nMAssay 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 DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50:  2.42E+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 DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50:  2.74E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50:  4.77E+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 DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50:  8.69E+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 DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50: >1.10E+4nMAssay 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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50:  1.26E+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 DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
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 DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50:  2.95E+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 DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
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 DepthDetails PCBioAssay
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31052(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Affinity DataIC50:  1.01E+4nMpH: 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 DepthDetails PCBioAssay