Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM50105669'   

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))	BDBM50105669 (CHEMBL97613 | {4-[1-(4-Hydroxy-3-isopropyl-phenyl)...) Show SMILES CC(C)c1cc(ccc1O)C(CC=C)c1c(C)cc(OCC(O)=O)cc1C Show InChI InChI=1S/C23H28O4/c1-6-7-19(17-8-9-21(24)20(12-17)14(2)3)23-15(4)10-18(11-16(23)5)27-13-22(25)26/h6,8-12,14,19,24H,1,7,13H2,2-5H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)				Bioorg Med Chem Lett 11: 2821-5 (2001) BindingDB Entry DOI: 10.7270/Q21Z43QR
					More data for this Ligand-Target Pair				3D Structure (docked)