BDBM50123056 2-(4-(4-hydroxy-3-(piperidin-1-ylsulfonyl)phenoxy)-3,5-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione2-(4-(4-hydroxy-3-(piperidin-1-ylsulfonyl)phenoxy)-3,5-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione::2-{4-[4-Hydroxy-3-(piperidine-1-sulfonyl)-phenoxy]-3,5-dimethyl-phenyl}-2H-[1,2,4]triazine-3,5-dione::CHEMBL333650
SMILES: Cc1cc(cc(C)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O
InChI Key: InChIKey=HRNYMDIFVOGJRO-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thyroid hormone receptor beta (Homo sapiens (Human)) | BDBM50123056 (2-(4-(4-hydroxy-3-(piperidin-1-ylsulfonyl)phenoxy)...) | 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 | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor | Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Thyroid hormone receptor beta (Homo sapiens (Human)) | BDBM50123056 (2-(4-(4-hydroxy-3-(piperidin-1-ylsulfonyl)phenoxy)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Insubria Curated by ChEMBL | Assay Description Inhibition of human thyroid hormone receptor beta 1 | Bioorg Med Chem 15: 5251-61 (2007) Article DOI: 10.1016/j.bmc.2007.05.016 BindingDB Entry DOI: 10.7270/Q2PK0HD8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |