BDBM50353440 CHEMBL1829864::US10196373, Compound 45F
SMILES: CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12
InChI Key: InChIKey=WHDNFPSXKYIUAR-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga Curated by ChEMBL | Assay Description Binding affinity against delta opioid receptor in mouse hot plate test | ACS Med Chem Lett 6: 982-6 (2015) BindingDB Entry DOI: 10.7270/Q2542QDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Signal transducer and activator of transcription 3 (Homo sapiens (Human)) | BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga Curated by ChEMBL | Assay Description Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay | Bioorg Med Chem Lett 21: 5605-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.056 BindingDB Entry DOI: 10.7270/Q2J966R9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Signal transducer and activator of transcription 3 (Homo sapiens (Human)) | BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. US Patent | Assay Description ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with... | US Patent US10196373 (2019) BindingDB Entry DOI: 10.7270/Q27083HS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Signal transducer and activator of transcription 3 (Homo sapiens (Human)) | BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 2.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. US Patent | Assay Description ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with... | US Patent US10196373 (2019) BindingDB Entry DOI: 10.7270/Q27083HS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription Factor STAT3 (Mus musculus (mouse)) | BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga Curated by ChEMBL | Assay Description Inhibition of STAT3 in mouse NIH3T3/vSrc nuclear extract assessed as disruption of the Stat3-DNA complex pre-incubated for 30 mins by EMSA analysis | Bioorg Med Chem Lett 21: 5605-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.056 BindingDB Entry DOI: 10.7270/Q2J966R9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga Curated by ChEMBL | Assay Description In vitro inhibitory activity towards Coagulation factor X was determined using chromogenic substrate, MeO-COD-CHG-Gly-Arg-pNA | ACS Med Chem Lett 6: 982-6 (2015) BindingDB Entry DOI: 10.7270/Q2542QDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein phosphatase S (Homo sapiens (Human)) | BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga Curated by ChEMBL | Assay Description Binding affinity against delta opioid receptor in mouse hot plate test | ACS Med Chem Lett 6: 982-6 (2015) BindingDB Entry DOI: 10.7270/Q2542QDC | |||||||||||
More data for this Ligand-Target Pair |