BDBM18869 2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid::CHEMBL41036::KB-141

SMILES CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl

InChI Key InChIKey=OZYQIQVPUZANTM-UHFFFAOYSA-N

Data  6 KI  13 IC50  8 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 18869   

TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 1.10nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of thyroid hormone receptor betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 25.1nMAssay Description:Inhibition of thyroid hormone receptor alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataEC50:  1.12nMAssay Description:Agonist activity at human thyroid hormone receptor beta expressed in CV1 cells by TRE-luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataEC50:  4.5nMAssay Description:Agonist activity at human thyroid hormone receptor alpha expressed in CV1 cells by TRE-luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 25nM EC50:  11nMpH: 7.0 T: 2°CAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 25nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataEC50:  23nMAssay Description:Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataEC50:  5nMAssay Description:Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 1.10nMAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 25nMpH: 7.0 T: 2°CAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 1.10nMpH: 7.0 T: 2°CAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 25nMpH: 7.0 T: 2°CAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 1.10nM EC50:  0.780nMpH: 7.0 T: 2°CAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 25nM EC50:  1.70nMpH: 7.0 T: 2°CAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataIC50: 1.10nM EC50:  3.5nMpH: 7.0 T: 2°CAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataKi:  0.240nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataKi:  0.370nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor beta expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataKi:  0.370nMAssay Description:Binding affinity to TRbeta1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataKi:  7.18nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataKi:  7.18nMAssay Description:Binding affinity to TRalpha1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataKi:  7.79nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)