BDBM46218 2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid::2-(3-methyl-4-methylsulfanylphenoxy)acetic acid::2-[3-methyl-4-(methylthio)phenoxy]acetic acid::MLS-0412045.0001::cid_823134

SMILES: CSc1ccc(OCC(O)=O)cc1C

InChI Key: InChIKey=DJAIXSIYKNHEBU-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 46218   

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
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46218 (2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid...) Show SMILES CSc1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C10H12O3S/c1-7-5-8(13-6-10(11)12)3-4-9(7)14-2/h3-5H,6H2,1-2H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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 (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46218 (2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid...) Show SMILES CSc1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C10H12O3S/c1-7-5-8(13-6-10(11)12)3-4-9(7)14-2/h3-5H,6H2,1-2H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 (2009) BindingDB Entry DOI: 10.7270/Q2DB807Z
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46218 (2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid...) Show SMILES CSc1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C10H12O3S/c1-7-5-8(13-6-10(11)12)3-4-9(7)14-2/h3-5H,6H2,1-2H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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 (2009) BindingDB Entry DOI: 10.7270/Q28K77H7
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2 (Homo sapiens (Human))	BDBM46218 (2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid...) Show SMILES CSc1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C10H12O3S/c1-7-5-8(13-6-10(11)12)3-4-9(7)14-2/h3-5H,6H2,1-2H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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 (2010) BindingDB Entry DOI: 10.7270/Q28G8J5T
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM46218 (2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid...) Show SMILES CSc1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C10H12O3S/c1-7-5-8(13-6-10(11)12)3-4-9(7)14-2/h3-5H,6H2,1-2H3,(H,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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 (2010) BindingDB Entry DOI: 10.7270/Q2QZ28FP
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM46218 (2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid...) Show SMILES CSc1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C10H12O3S/c1-7-5-8(13-6-10(11)12)3-4-9(7)14-2/h3-5H,6H2,1-2H3,(H,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M9073J
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46218 (2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid...) Show SMILES CSc1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C10H12O3S/c1-7-5-8(13-6-10(11)12)3-4-9(7)14-2/h3-5H,6H2,1-2H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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 (2010) BindingDB Entry DOI: 10.7270/Q2BR8QNJ
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46218 (2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid...) Show SMILES CSc1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C10H12O3S/c1-7-5-8(13-6-10(11)12)3-4-9(7)14-2/h3-5H,6H2,1-2H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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 (2009) BindingDB Entry DOI: 10.7270/Q21N7ZJW
					More data for this Ligand-Target Pair