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

Data: 11 IC50  3 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 14 hits for monomerid = 31064   

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)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	Article PCBioAssay	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) Article DOI: 10.1038/sj.bjp.0701860 BindingDB Entry DOI: 10.7270/Q2S46Q8P
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Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	PCBioAssay	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)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PCBioAssay	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
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Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar	PC cid PC sid UniChem	Article PCBioAssay	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) Article DOI: 10.1021/cc700189b 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)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PCBioAssay	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) Article DOI: 10.1021/cc9001026 BindingDB Entry DOI: 10.7270/Q2PR7TCX
					More data for this Ligand-Target Pair
STAT3 (Homo sapiens (Human))	BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	GoogleScholar	PC cid PC sid UniChem	PCBioAssay	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)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.55E+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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PCBioAssay	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) Article DOI: 10.1021/cb3005353 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)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article PCBioAssay	n/a	n/a	1.55E+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)	BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	PCBioAssay	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 (Human))	BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PCBioAssay	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)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	PCBioAssay	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 (Human))	BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	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
Transcription Factor STAT1 (Homo sapiens (Human))	BDBM31064 (4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	PCBioAssay	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