BDBM50301375 3,3',5,5'-tetraiodo-L-thyronine::3,5,3',5'-tetraiodo-L-thyronine::4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine::CHEMBL1624::L-T4::L-thyroxine::O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine::levothyroxine

SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O

InChI Key InChIKey=XUIIKFGFIJCVMT-LBPRGKRZSA-N

Data  9 IC50  2 Kd  6 EC50

PDB links: 26 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50301375   

TargetUDP-glucuronosyltransferase 1A1(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataIC50:  5.60E+3nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetThyroid hormone receptor beta(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataEC50:  240nMAssay Description:Agonist activity at THRbeta (unknown origin) incubated for 14 to 16 hrs by dual glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataEC50:  1.12E+4nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataEC50:  1.00E+5nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTransthyretin(Human)
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataIC50:  1.05E+4nMAssay Description:Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

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

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataIC50: >5.00E+4nMAssay 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 ArticlePubMed

TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataIC50:  7.86E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTransthyretin(Human)
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataIC50:  2.20E+3nMAssay Description:Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetTransthyretin(Human)
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataIC50:  2.19E+3nMAssay Description:Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMalate dehydrogenase, mitochondrial(Human)
Dongguk University

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataIC50:  4.36E+4nMAssay Description:Inhibition of MDH2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataIC50:  8.00E+3nMAssay Description:TP_TRANSPORTER: inhibition of Triiodothyronine uptake in OATP4C1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataEC50:  1.20E+4nMAssay 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 ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataKd:  400nMAssay Description:Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetRetinoic acid receptor RXR-alpha(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataEC50:  1.54E+4nMAssay Description:Agonist activity at recombinant human pFA-CMV fused RXRalpha LBD expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetRetinoic acid receptor RXR-alpha(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataKd:  930nMAssay Description:Binding affinity to RXRalpha LBD (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetThyroid hormone receptor alpha(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataEC50:  19nMAssay Description:Agonist activity at THRalpha (unknown origin) incubated for 14 to 16 hrs by dual glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetUDP-glucuronosyltransferase 1A1(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Affinity DataIC50:  4.90E+3nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed