BDBM31067 4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-mesyl-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine::MLS000044648::SMR000022592::cid_3244140

SMILES: COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=HVRDEPLCFBDXSG-UHFFFAOYSA-N

Data: 9 IC50  1 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 10 hits for monomerid = 31067   

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))	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.59E+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 (Human))	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.91E+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
Bfl-1 (Mus musculus (Mouse))	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves c...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N014W6
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.18E+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
Hsf1 protein (Mus musculus)	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.47E+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: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	7.73E+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))	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	7.15E+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/Q2PR7TCX
					More data for this Ligand-Target Pair
Bfl-1 (Mus musculus (Mouse))	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K072NW
					More data for this Ligand-Target Pair
Bfl-1 (Mus musculus (Mouse))	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K072NW
					More data for this Ligand-Target Pair
Bfl-1 (Mus musculus (Mouse))	BDBM31067 (4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2X065GM
					More data for this Ligand-Target Pair