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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thyroid Hormone Receptor (TR-beta)' and Ligand = 'BDBM18883'   
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))
BDBM18883
PNG
(3,5-dibromo-4-[4-hydroxy-3,5-bis(propan-2-yl)pheno...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)cc(C(C)C)c1O
Show InChI InChI=1S/C19H20Br2O4/c1-9(2)13-7-12(8-14(10(3)4)17(13)22)25-18-15(20)5-11(19(23)24)6-16(18)21/h5-10,22H,1-4H3,(H,23,24)
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n/an/a 910n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18883
PNG
(3,5-dibromo-4-[4-hydroxy-3,5-bis(propan-2-yl)pheno...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)cc(C(C)C)c1O
Show InChI InChI=1S/C19H20Br2O4/c1-9(2)13-7-12(8-14(10(3)4)17(13)22)25-18-15(20)5-11(19(23)24)6-16(18)21/h5-10,22H,1-4H3,(H,23,24)
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Article
PubMed
n/an/a 910n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18883
PNG
(3,5-dibromo-4-[4-hydroxy-3,5-bis(propan-2-yl)pheno...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)cc(C(C)C)c1O
Show InChI InChI=1S/C19H20Br2O4/c1-9(2)13-7-12(8-14(10(3)4)17(13)22)25-18-15(20)5-11(19(23)24)6-16(18)21/h5-10,22H,1-4H3,(H,23,24)
PDB
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 912n/an/an/an/an/an/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