BDBM50123061 2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane]-8-ylsulfonyl}-4-hydroxyphenoxy)-3,5-dichlorophenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione::2-{3,5-dichloro-4-[4-hydroxy-3-spiro[8-azabicyclo[3.2.1]octane-3,2'-(dihydro[1,3]dioxolane)]-8-ylsulfonylphenoxy]phenyl}-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione::CHEMBL125317
SMILES: Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(C2)OCCO1
InChI Key: InChIKey=CIWCTQFJPAPNJY-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)) | BDBM50123061 (2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3...) | 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 | 0.310 | 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 | |||||||||||||
Thyroid hormone receptor beta (Homo sapiens (Human)) | BDBM50123061 (2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3...) | 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 | 0.871 | 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 |