BDBM18860 (2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid::(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid::3,5,3'-triiodo-L-thyronine (T3)::CHEMBL1544::Triiodothyronine::Triiodothyronine (T3)::US10544075, Compound T3::[125I]T3::liothyronine::triothyrone

SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O

InChI Key InChIKey=AUYYCJSJGJYCDS-UHFFFAOYSA-N

Data  11 KI  20 IC50  13 Kd  31 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 75 hits for monomerid = 18860   

TargetProliferating cell nuclear antigen(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 0.257nMAssay Description:Inhibition of human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  2.40nMAssay Description:Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  2.40nMAssay Description:Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  2.40nMAssay Description:Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  11nMAssay Description:Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataKd:  0.0810nMAssay Description:Displacement of [125I]T3 from human TRbeta receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataKd:  0.0580nMAssay Description:Displacement of [125I]T3 from human TRalpha receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier organic anion transporter family member 1A4(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 5.04E+4nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetBile salt export pump(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 1.13E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf21 cell membrane vesicles assessed as reduction in ATP-dependent [3H]-tauroc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 3.20nMAssay Description:Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 2.90nMAssay Description:Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  2.10nMAssay Description:Agonist activity at human recombinant TRalpha1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  2nMAssay Description:Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Rat)
Ciba Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 500nMAssay Description:In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAndrogen receptor(Human)
University of British Columbia

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 5.00E+4nMAssay Description:Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 0.260nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 0.260nMpH: 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 DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  1.01nMAssay 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
In DepthDetails
US Patent

TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  1.49nMAssay 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
In DepthDetails
US Patent

TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  5.80E+3nMAssay Description:Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataKd:  710nMAssay Description:Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProthrombin(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  1.20nMAssay Description:Agonist activity at GST-labelled THRbeta ( 202 to 461 residues) (unknown origin) incubated for 2 hrs in presence SRC1-2 co-activator peptide by Alpha...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  3.40nMAssay Description:Agonist activity at human THRalpha expressed in CHO cells after 24 hrs by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProthrombin(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  6.20nMAssay Description:Agonist activity at human THRbeta expressed in CHO cells after 24 hrs by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  0.5nMAssay Description:Agonist activity at human THRalpha expressed in baculovirus infected SF9 cells after 15 mins by gel electrophoresisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProthrombin(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  1.20nMAssay Description:Agonist activity at human THRbeta expressed in green monkey CV1 cells after 24 hrs by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  30nMAssay Description:Agonist activity at wild type human TR alpha LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of N-terminal biotinylated coactivato...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  35nMAssay Description:Agonist activity at human TR beta LBD (202 to 461 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as induction of N-terminal biotin...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  30nMAssay Description:Agonist activity at human THR-alpha expressed in CHO-K1 cells by PathHunter assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  10nMAssay Description:Agonist activity at human THR-beta expressed in CHO-K1 cells by PathHunter assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  0.700nMAssay Description:Agonist activity at human THRalpha transfected in Huh7 cells co-transfected with luciferase reporter plasmid assessed as reduction in luciferase acti...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  1.10nMAssay Description:Agonist activity at human THRbeta transfected in Huh7 cells co-transfected with luciferase reporter plasmid assessed as reduction in luciferase activ...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataKd:  0.0810nMAssay Description:Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  10nMAssay 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 DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Rat)
Ciba Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 4.40nMAssay Description:In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 0.240nMAssay Description:Inhibitory concentration against cloned human thyroid hormone receptor alpha 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataKd:  0.0810nMAssay 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
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataKd:  0.0580nMAssay 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
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  2.40nMAssay Description:TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell lineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  2.40nMAssay Description:TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell lineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  11nMAssay Description:TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataEC50:  2.40nMAssay Description:TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Rat)
Ciba Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 500nMAssay Description:In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataKd:  0.0580nMAssay Description:Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 0.260nMAssay 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 DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 0.240nMpH: 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 DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 0.260nMpH: 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 DepthDetails Article
PubMed
TargetThyroid hormone receptor alpha(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 0.240nMpH: 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 DepthDetails Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18860(triothyrone | (2S)-2-amino-3-[4-(4-hydroxy-3-iodop...)
Affinity DataIC50: 0.260nMpH: 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 DepthDetails Article
PubMed
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