BindingDB PrimarySearch

BDBM50178971 (R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid::(R)-2-amino-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)propanoic acid::2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid::CHEMBL557::Detrothyronine

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

InChI Key: InChIKey=AUYYCJSJGJYCDS-GFCCVEGCSA-N

Data: 4 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50178971
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50178971 ((R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Inhibition of human TRbeta1 by radioligand binding assay				Bioorg Med Chem Lett 16: 1240-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.077 BindingDB Entry DOI: 10.7270/Q2T72H1W
Karo Bio AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50178971 ((R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Inhibition of human TRalpha1 by radioligand binding assay				Bioorg Med Chem Lett 16: 1240-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.077 BindingDB Entry DOI: 10.7270/Q2T72H1W
Karo Bio AB Curated by ChEMBL					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50178971 ((R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.263	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of thyroid hormone receptor beta				Bioorg Med Chem 15: 4609-17 (2007) Article DOI: 10.1016/j.bmc.2007.04.015 BindingDB Entry DOI: 10.7270/Q2W37XJQ
Universidade de S£o Paulo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50178971 ((R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Efficacy against TRAF-beta-1 reporter cells				Bioorg Med Chem Lett 16: 1240-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.077 BindingDB Entry DOI: 10.7270/Q2T72H1W
Karo Bio AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50178971 ((R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of thyroid hormone receptor alpha				Bioorg Med Chem 15: 4609-17 (2007) Article DOI: 10.1016/j.bmc.2007.04.015 BindingDB Entry DOI: 10.7270/Q2W37XJQ
Universidade de S£o Paulo Curated by ChEMBL					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50178971 ((R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Efficacy against TRAF-alpha-1 reporter cells				Bioorg Med Chem Lett 16: 1240-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.077 BindingDB Entry DOI: 10.7270/Q2T72H1W
Karo Bio AB Curated by ChEMBL					More data for this Ligand-Target Pair