BDBM88797 2-[(5E)-5-[4-[2-(3,4-dimethylanilino)-2-keto-ethoxy]-3-methoxy-benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid::2-[(5E)-5-[[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid::2-[(5E)-5-[[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid::2-[(5E)-5-[[4-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid::MLS001034710::SMR000665623::cid_2186383
SMILES: COc1cc(\C=C2\SC(=S)N(CC(O)=O)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChI Key: InChIKey=TWZVFHIQHPMEBF-VXLYETTFSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human)) | BDBM88797 (2-[(5E)-5-[4-[2-(3,4-dimethylanilino)-2-keto-ethox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.72E+3 | 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 (2012) BindingDB Entry DOI: 10.7270/Q2DV1HGT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human)) | BDBM88797 (2-[(5E)-5-[4-[2-(3,4-dimethylanilino)-2-keto-ethox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.32E+3 | 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 (2012) BindingDB Entry DOI: 10.7270/Q2959G44 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human)) | BDBM88797 (2-[(5E)-5-[4-[2-(3,4-dimethylanilino)-2-keto-ethox...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.65E+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 (2012) BindingDB Entry DOI: 10.7270/Q2FQ9V6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human)) | BDBM88797 (2-[(5E)-5-[4-[2-(3,4-dimethylanilino)-2-keto-ethox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KH0KWR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human)) | BDBM88797 (2-[(5E)-5-[4-[2-(3,4-dimethylanilino)-2-keto-ethox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.64E+3 | 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 (2012) BindingDB Entry DOI: 10.7270/Q2T43RPN | |||||||||||
More data for this Ligand-Target Pair |