BindingDB PrimarySearch

BDBM18918 2-{4-[3-bromo-4-(2-ethylbutanamido)phenoxy]-3,5-dichlorophenyl}acetic acid::4-amido bioisosteric ligand, 12e

SMILES: CCC(CC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br

InChI Key: InChIKey=YFEVUUNMUSDKFZ-UHFFFAOYSA-N

Data: 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18918
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))	BDBM18918 (2-{4-[3-bromo-4-(2-ethylbutanamido)phenoxy]-3,5-di...) 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	610	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
Karo Bio AB					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18918 (2-{4-[3-bromo-4-(2-ethylbutanamido)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	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
Karo Bio AB					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18918 (2-{4-[3-bromo-4-(2-ethylbutanamido)phenoxy]-3,5-di...) 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	617	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))	BDBM18918 (2-{4-[3-bromo-4-(2-ethylbutanamido)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	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	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))	BDBM18918 (2-{4-[3-bromo-4-(2-ethylbutanamido)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	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	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