BindingDB PrimarySearch

BDBM18953 2-[3,5-dibromo-4-(4-hydroxy-3-{[2-(2-methoxyphenyl)ethyl]carbamoyl}phenoxy)phenyl]acetic acid::4-hydroxy thyromimetic, 15h

SMILES: COc1ccccc1CCNC(=O)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O

InChI Key: InChIKey=LZJNSIDSVOXSRG-UHFFFAOYSA-N

Data: 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18953
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 alpha (Homo sapiens (Human))	BDBM18953 (2-[3,5-dibromo-4-(4-hydroxy-3-{[2-(2-methoxyphenyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
Bristol-Myers Squibb					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18953 (2-[3,5-dibromo-4-(4-hydroxy-3-{[2-(2-methoxyphenyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
Bristol-Myers Squibb					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18953 (2-[3,5-dibromo-4-(4-hydroxy-3-{[2-(2-methoxyphenyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95.5	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 beta (Homo sapiens (Human))	BDBM18953 (2-[3,5-dibromo-4-(4-hydroxy-3-{[2-(2-methoxyphenyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.51	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
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18953 (2-[3,5-dibromo-4-(4-hydroxy-3-{[2-(2-methoxyphenyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.468	n/a	n/a	n/a	n/a	n/a	n/a
University of Insubria Curated by ChEMBL					Assay Description Inhibition of human thyroid hormone receptor beta 1				Bioorg Med Chem 15: 5251-61 (2007) Article DOI: 10.1016/j.bmc.2007.05.016 BindingDB Entry DOI: 10.7270/Q2PK0HD8
University of Insubria Curated by ChEMBL					More data for this Ligand-Target Pair