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BDBM50225220 CHEMBL559::D-thyroxine::O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-D-tyrosine::dextrothyroxine

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

InChI Key: InChIKey=XUIIKFGFIJCVMT-GFCCVEGCSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50225220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
thyroid beta


(RAT)
BDBM50225220
PNG
(CHEMBL559 | D-thyroxine | O-(4-hydroxy-3,5-diiodop...)
Show SMILES N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
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Similars

PubMed
n/an/a 35n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)

More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50225220
PNG
(CHEMBL559 | D-thyroxine | O-(4-hydroxy-3,5-diiodop...)
Show SMILES N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)

More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM50225220
PNG
(CHEMBL559 | D-thyroxine | O-(4-hydroxy-3,5-diiodop...)
Show SMILES N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
DrugBank
PC cid
PC sid
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Article
PubMed
n/an/a 7.17E+3n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation at pH 4.4


J Med Chem 50: 5589-99 (2007)

More data for this
Ligand-Target Pair