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

Data: 12 IC50  4 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 16 hits for monomerid = 31063   

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...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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) BindingDB Entry DOI: 10.7270/Q2S46Q8P
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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) BindingDB Entry DOI: 10.7270/Q2G15ZB8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (human))	BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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)	BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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) 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...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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) BindingDB Entry DOI: 10.7270/Q2319T8T
					More data for this Ligand-Target Pair
STAT3 (Homo sapiens)	BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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) 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...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.31E+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)	BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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)	BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.31E+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
Toll-like receptor 9 (TLR9) (Homo sapiens (Human))	BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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) BindingDB Entry DOI: 10.7270/Q2KS6Q2P
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens)	BDBM31063 (2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		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