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BDBM31063 2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyrimidine::2-mesyl-4-phenyl-6-(trifluoromethyl)pyrimidine::2-methylsulfonyl-4-phenyl-6-(trifluoromethyl)pyrimidine::MLS000044644::SMR000022588::cid_3236803
SMILES: CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
InChI Key: InChIKey=HZSJKGMPEXGXBV-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)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | PC cid PC sid UniChem Similars | Article PCBioAssay | n/a | n/a | 2.28E+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) Article DOI: 10.1038/sj.bjp.0701860 BindingDB Entry DOI: 10.7270/Q2S46Q8P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Homo sapiens (Human)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Peking University Curated by ChEMBL | Assay Description Inhibition of SDHB in human U2OS cells over-expressing Bim assessed as inhibition of apoptosis preincubated for 1 hr followed by doxycyclin addition ... | ACS Med Chem Lett 8: 407-412 (2017) Article DOI: 10.1021/acsmedchemlett.6b00489 BindingDB Entry DOI: 10.7270/Q29Z9745 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.51E+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 (Human)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar | PC cid PC sid UniChem Similars | Article PCBioAssay | n/a | n/a | 1.17E+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) Article DOI: 10.1021/cc0600021 BindingDB Entry DOI: 10.7270/Q26Q1VNZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Steroidogenic Factor 1 (Homo sapiens (Human)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | PC cid PC sid UniChem Similars | Article PCBioAssay | n/a | n/a | 5.09E+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) Article DOI: 10.1021/cc060110n BindingDB Entry DOI: 10.7270/Q2319T8T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| STAT3 (Homo sapiens (Human)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | GoogleScholar | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.08E+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 (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 | |||||||||||||
| Transcription Factor STAT1 (Homo sapiens (Human)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.97E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2WS8RN8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Hsf1 protein (Mus musculus) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 8.84E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Agp1p (Saccharomyces cerevisiae S288c) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | KEGG UniProtKB/SwissProt GoogleScholar | PC cid PC sid UniChem Similars | Article PCBioAssay | n/a | n/a | n/a | n/a | 653 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) Article DOI: 10.1038/nchembio.1603 BindingDB Entry DOI: 10.7270/Q29885GJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | KEGG UniProtKB/SwissProt GoogleScholar | PC cid PC sid UniChem Similars | Article PCBioAssay | n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University 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) Article DOI: 10.1021/bi400740x BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.27E+4 | 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 | |||||||||||||
| DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 5.53E+3 | 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 (Human)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University 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 | |||||||||||||
| DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | KEGG UniProtKB/SwissProt GoogleScholar | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University 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 | |||||||||||||
| Toll-like receptor 9 (Homo sapiens (Human)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | PC cid PC sid UniChem Similars | Article PCBioAssay | n/a | n/a | 9.61E+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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) Article DOI: 10.1021/bi500711x BindingDB Entry DOI: 10.7270/Q2KS6Q2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta lactamase (Pseudomonas aeruginosa) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar | PC cid PC sid UniChem Similars | Article PCBioAssay | n/a | n/a | 2.91E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) Article DOI: 10.1021/bi500887n BindingDB Entry DOI: 10.7270/Q2G15ZB8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.13E+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 | |||||||||||||
