Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM18891'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18891 (3-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}p...) Show SMILES Cc1ccc(COc2c(Br)cc(CCC(O)=O)cc2Br)cc1 Show InChI InChI=1S/C17H16Br2O3/c1-11-2-4-12(5-3-11)10-22-17-14(18)8-13(9-15(17)19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)	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	360	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 17: 2018-21 (2007) Article DOI: 10.1016/j.bmcl.2007.01.009 BindingDB Entry DOI: 10.7270/Q2R20ZMS
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