BDBM50115668 3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phenoxyacetic acid::CHEMBL107400::GC-1::US10322118, Entry 7::US10544075, Compound GC-1::[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenoxy]-acetic acid::[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenoxy]-acetic acid(GC-1)::{4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid

SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O

InChI Key InChIKey=QNAZTOHXCZPOSA-UHFFFAOYSA-N

Data  2 KI  1 IC50  8 Kd  6 EC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50115668   

TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKi:  0.320nMAssay 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
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKi:  1.09nMAssay 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
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataEC50:  3nMAssay 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
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataEC50:  18nMAssay 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
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKd:  1.80nMAssay Description:Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataEC50:  7nMAssay Description:Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataEC50:  45nMAssay Description:Half-maximum activation of human Thyroid hormone receptor alpha1 (hTRalpha1)More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKd:  0.100nMAssay Description:Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKd:  0.660nMAssay Description:Binding affinity of compound was determined against Thyroid hormone receptor alpha1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKd:  0.100nMAssay Description:Binding affinity of compound was determined against thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKd:  0.200nMAssay Description:Binding affinity to human TRbeta1More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKd:  2.5nMAssay Description:Binding affinity to human TRalpha1More data for this Ligand-Target Pair
TargetPutative hydrolase(Pseudomonas aeruginosa (strain UCBPP-PA14))
Dartmouth College

US Patent
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataIC50: >1.00E+5nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataEC50:  74.7nMAssay Description:Human epithelial kidney cells (HEK 293) were grown to 80% confluency in Dubelcco's modified Eagles 4.5 g/L glucose medium (high glucose DMEM) con...More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataEC50:  2.82nMAssay Description:Human epithelial kidney cells (HEK 293) were grown to 80% confluency in Dubelcco's modified Eagles 4.5 g/L glucose medium (high glucose DMEM) con...More data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKd:  0.440nMAssay Description:Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega.More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKd:  0.0670nMAssay Description:Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega.More data for this Ligand-Target Pair