Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor alpha' and Ligand = 'BDBM50171806'   

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 alpha (Homo sapiens (Human))	BDBM50171806 (CHEMBL196613 | [3,5-Dichloro-4-(6-hydroxy-5-phenyl...) Show SMILES OC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(c(O)ccc12)-c1ccccc1 |(12.54,-2.46,;12.53,-.92,;13.87,-.14,;11.2,-.15,;9.85,-.92,;9.87,-2.46,;8.52,-3.24,;8.52,-4.78,;7.19,-2.47,;7.19,-.93,;5.86,-.16,;8.52,-.16,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;1.87,-2.48,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,;.52,-3.25,;.54,-4.78,;-.79,-5.56,;-2.14,-4.79,;-2.14,-3.25,;-.79,-2.48,)| Show InChI InChI=1S/C23H15Cl2NO3/c24-18-11-14(26-23(28)29)12-19(25)22(18)17-8-4-7-16-15(17)9-10-20(27)21(16)13-5-2-1-3-6-13/h1-12,26-27H,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1				Bioorg Med Chem Lett 15: 4579-84 (2005) Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG
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