BDBM18958 (2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}ethyl)(ethyl)amine::CHEMBL1600::DEA::Deethylamiodarone::Desethylamiodarone::L 33520

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

InChI Key: InChIKey=VXOKDLACQICQFA-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 18958   

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))	BDBM18958 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1 Show InChI InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3	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	4.70E+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)	BDBM18958 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1 Show InChI InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+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 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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM18958 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1 Show InChI InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.025 uM) in MDR1-expressing LLC-PK1 cells				Eur J Pharm Sci 12: 505-13 (2001) BindingDB Entry DOI: 10.7270/Q2JH3NG1
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM18958 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1 Show InChI InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical) (Daunorubicin: 0.035 uM) in MDR1-expressing LLC-PK1 cells				Eur J Pharm Sci 12: 505-13 (2001) BindingDB Entry DOI: 10.7270/Q2JH3NG1
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM18958 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1 Show InChI InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3	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	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