BDBM18959 3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2-butyl-1-benzofuran::CHEMBL1598::DDEA::Desdiethylamiodarone::Di-N-desethylamiodarone::L 33530::Methanone

SMILES: CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1

InChI Key: InChIKey=ZOCLVGHDXBVATF-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 18959   

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))	BDBM18959 (3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1 Show InChI InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+4	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
thyroid beta (RAT)	BDBM18959 (3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1 Show InChI InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	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
Inhibitor of growth protein 2 (Homo sapiens (Human))	BDBM18959 (3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1 Show InChI InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged ING2 PHD (201 to 281 residues) (unknown origin) using biotin-H3K4me3 ( 1 to 14 residues) peptide substrate by fl...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM18959 (3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1 Show InChI InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged KDM5A PHD3 (1601 to 1660 residues) (unknown origin) using biotin-H3K4me3 ( 1 to 14 residues) peptide substrate b...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM18959 (3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1 Show InChI InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged KDM4A double tudor domain (895 to 1011 residues) (unknown origin) using biotin-H3K4me3 ( 1 to 14 residues) pepti...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM18959 (3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1 Show InChI InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Agonist 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