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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid Hormone Receptor (TR-beta)' and Ligand = 'BDBM50275259'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50275259
PNG
(CHEMBL447378 | [3,5-Dimethoxy-4-(4'-hydroxy-3'-iso...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H27O5P/c1-13(2)18-11-16(5-6-20(18)21)12-19-14(3)9-17(10-15(19)4)25-7-8-26(22,23)24/h5-6,9-11,13,21H,7-8,12H2,1-4H3,(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
87n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)


Article DOI: 10.1021/jm800824d
BindingDB Entry DOI: 10.7270/Q21V5DT5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)