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: 1 KI  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 4 hits for monomerid = 50225220   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Solute carrier organic anion transporter family member 1C1 (Mus musculus)	BDBM50225220 (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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells				Endocrinology 145: 4384-91 (2004) Article DOI: 10.1210/en.2004-0058 BindingDB Entry DOI: 10.7270/Q2251N23
					More data for this Ligand-Target Pair
thyroid beta (RAT)	BDBM50225220 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2T43TRC
					More data for this Ligand-Target Pair
thyroid beta (RAT)	BDBM50225220 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2T43TRC
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50225220 (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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.17E+3	n/a	n/a	n/a	n/a	4.4	n/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) Article DOI: 10.1021/jm0700159 BindingDB Entry DOI: 10.7270/Q2PG1RGD
					More data for this Ligand-Target Pair