BDBM31054 (2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxathiolo[4,5-c]pyran-2-ylidene)propionic acid methyl ester::(2E)-3,3,3-trifluoro-2-(6-methyl-4-oxo-[1,3]oxathiolo[4,5-c]pyran-2-ylidene)propanoic acid methyl ester::MLS000078159::SMR000036803::cid_660939::methyl (2E)-3,3,3-trifluoro-2-(6-methyl-4-oxo-[1,3]oxathiolo[4,5-c]pyran-2-ylidene)propanoate::methyl (2E)-3,3,3-tris(fluoranyl)-2-(6-methyl-4-oxidanylidene-[1,3]oxathiolo[4,5-c]pyran-2-ylidene)propanoate

SMILES COC(=O)C(=C1\Oc2cc(C)oc(=O)c2S1)\C(F)(F)F

InChI Key InChIKey=SLLBSUNKCIFVCJ-UXBLZVDNSA-N

Data  10 IC50  2 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 12 hits for monomerid = 31054   

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

Curated by PubChem BioAssay
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  1.24E+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
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  1.87E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  1.42E+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 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
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  3.24E+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
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  4.32E+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
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  4.88E+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
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  4.69E+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
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  4.88E+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
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataEC50:  3.63E+5nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataEC50:  3.74E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  2.77E+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
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31054((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Affinity DataIC50:  1.11E+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