BDBM18916 2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-dichlorophenyl}acetic acid::4-amido bioisosteric ligand, 12c

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

InChI Key: InChIKey=MXHYBOCRTUHWOD-UHFFFAOYSA-N

Data: 3 IC50

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 = 18916   

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 alpha (Homo sapiens (Human))	BDBM18916 (2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-d...) Show SMILES CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C19H18BrCl2NO4/c1-3-10(2)19(26)23-16-5-4-12(9-13(16)20)27-18-14(21)6-11(7-15(18)22)8-17(24)25/h4-7,9-10H,3,8H2,1-2H3,(H,23,26)(H,24,25)	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	240	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
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18916 (2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-d...) Show SMILES CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C19H18BrCl2NO4/c1-3-10(2)19(26)23-16-5-4-12(9-13(16)20)27-18-14(21)6-11(7-15(18)22)8-17(24)25/h4-7,9-10H,3,8H2,1-2H3,(H,23,26)(H,24,25)	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	4.27	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
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18916 (2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-d...) Show SMILES CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C19H18BrCl2NO4/c1-3-10(2)19(26)23-16-5-4-12(9-13(16)20)27-18-14(21)6-11(7-15(18)22)8-17(24)25/h4-7,9-10H,3,8H2,1-2H3,(H,23,26)(H,24,25)	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	4.30	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
					More data for this Ligand-Target Pair