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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 18866   
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 beta


(Homo sapiens (Human))
BDBM18866
PNG
(3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]be...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)ccc1O
Show InChI InChI=1S/C16H14Br2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)
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Article
PubMed
n/an/a 2.09n/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
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18866
PNG
(3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]be...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)ccc1O
Show InChI InChI=1S/C16H14Br2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)
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Article
PubMed
n/an/a 2.09n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor beta


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18866
PNG
(3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]be...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)ccc1O
Show InChI InChI=1S/C16H14Br2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)
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Article
PubMed
n/an/a 2.10n/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 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM18866
PNG
(3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]be...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)ccc1O
Show InChI InChI=1S/C16H14Br2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)
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Article
PubMed
n/an/a 9.70n/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 hTRalpha.


J Med Chem 46: 1580-8 (2003)


Article DOI: 10.1021/jm021080f
BindingDB Entry DOI: 10.7270/Q20K26TG
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM18866
PNG
(3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]be...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)ccc1O
Show InChI InChI=1S/C16H14Br2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 9.77n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of thyroid hormone receptor alpha


Bioorg Med Chem 15: 4609-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ
More data for this
Ligand-Target Pair