BDBM41590 6-methoxy-2-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-1-benzothiophene 1-oxide::6-methoxy-2-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]thio]-1-benzothiophene 1-oxide::6-methoxy-2-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]thio]benzothiophene 1-oxide::6-methoxy-2-(4-methoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-1-benzothiophen-1-one::MLS000540587::SMR000125845::cid_5863319

SMILES: COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O

InChI Key: InChIKey=KDMSACVVPBXINL-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 41590   

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
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM41590 (6-methoxy-2-(4-methoxyphenyl)-3-[3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O Show InChI InChI=1S/C23H17F3O3S2/c1-28-16-8-6-14(7-9-16)22-21(19-11-10-17(29-2)13-20(19)31(22)27)30-18-5-3-4-15(12-18)23(24,25)26/h3-13H,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.11E+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/Q2B56H4Q
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM41590 (6-methoxy-2-(4-methoxyphenyl)-3-[3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O Show InChI InChI=1S/C23H17F3O3S2/c1-28-16-8-6-14(7-9-16)22-21(19-11-10-17(29-2)13-20(19)31(22)27)30-18-5-3-4-15(12-18)23(24,25)26/h3-13H,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.26E+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 (2008) BindingDB Entry DOI: 10.7270/Q2WQ027W
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM41590 (6-methoxy-2-(4-methoxyphenyl)-3-[3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O Show InChI InChI=1S/C23H17F3O3S2/c1-28-16-8-6-14(7-9-16)22-21(19-11-10-17(29-2)13-20(19)31(22)27)30-18-5-3-4-15(12-18)23(24,25)26/h3-13H,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.67E+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/Q2G15ZB8
					More data for this Ligand-Target Pair
Eph receptor A4 (Mus musculus)	BDBM41590 (6-methoxy-2-(4-methoxyphenyl)-3-[3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O Show InChI InChI=1S/C23H17F3O3S2/c1-28-16-8-6-14(7-9-16)22-21(19-11-10-17(29-2)13-20(19)31(22)27)30-18-5-3-4-15(12-18)23(24,25)26/h3-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2JD4V5T
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM41590 (6-methoxy-2-(4-methoxyphenyl)-3-[3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O Show InChI InChI=1S/C23H17F3O3S2/c1-28-16-8-6-14(7-9-16)22-21(19-11-10-17(29-2)13-20(19)31(22)27)30-18-5-3-4-15(12-18)23(24,25)26/h3-13H,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.06E+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
Eph receptor A4 (Mus musculus)	BDBM41590 (6-methoxy-2-(4-methoxyphenyl)-3-[3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O Show InChI InChI=1S/C23H17F3O3S2/c1-28-16-8-6-14(7-9-16)22-21(19-11-10-17(29-2)13-20(19)31(22)27)30-18-5-3-4-15(12-18)23(24,25)26/h3-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.75E+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/Q2P55KW4
					More data for this Ligand-Target Pair