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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
| Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A (Homo sapiens (human)) | BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet  | PC cid PC sid UniChem | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 | |
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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 2.26E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 | |
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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 4.88E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 6.98E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 3.81E+4 | n/a | n/a | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 2.28E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | n/a | n/a | >3.80E+5 | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | n/a | n/a | >3.50E+5 | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | n/a | n/a | >3.80E+5 | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | >1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
