BDBM18960 (2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-iodophenoxy}ethyl)diethylamine::CHEMBL461724::L 6355::MIA::Monoiodoamiodarone

SMILES: CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(I)c1

InChI Key: InChIKey=DKWLFFXBYKTKRM-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 18960   

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
Thyroid Hormone Receptor (TR-alpha) (Gallus gallus (chicken))	BDBM18960 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-iodo...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H30INO3/c1-4-7-11-23-24(19-10-8-9-12-21(19)30-23)25(28)18-13-14-22(20(26)17-18)29-16-15-27(5-2)6-3/h8-10,12-14,17H,4-7,11,15-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.6	22
University of Amsterdam					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Endocrinology 137: 2807-14 (1996) Article DOI: 10.1210/endo.137.7.8770901 BindingDB Entry DOI: 10.7270/Q2ZK5DX4
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM18960 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-iodo...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H30INO3/c1-4-7-11-23-24(19-10-8-9-12-21(19)30-23)25(28)18-13-14-22(20(26)17-18)29-16-15-27(5-2)6-3/h8-10,12-14,17H,4-7,11,15-16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Antagonist activity at rat TAAR1 expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 18: 5920-2 (2008) Article DOI: 10.1016/j.bmcl.2008.08.013 BindingDB Entry DOI: 10.7270/Q2HQ3ZQN
					More data for this Ligand-Target Pair
thyroid beta (RAT)	BDBM18960 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-iodo...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H30INO3/c1-4-7-11-23-24(19-10-8-9-12-21(19)30-23)25(28)18-13-14-22(20(26)17-18)29-16-15-27(5-2)6-3/h8-10,12-14,17H,4-7,11,15-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.6	22
University of Amsterdam					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				Endocrinology 137: 2807-14 (1996) Article DOI: 10.1210/endo.137.7.8770901 BindingDB Entry DOI: 10.7270/Q2ZK5DX4
					More data for this Ligand-Target Pair