Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM50105667'   

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))	BDBM50105667 (CHEMBL98135 | {4-[4-Hydroxy-1-(4-hydroxy-3-isoprop...) Show SMILES CC(C)c1cc(ccc1O)C(CCCO)c1c(C)cc(OCC(O)=O)cc1C Show InChI InChI=1S/C23H30O5/c1-14(2)20-12-17(7-8-21(20)25)19(6-5-9-24)23-15(3)10-18(11-16(23)4)28-13-22(26)27/h7-8,10-12,14,19,24-25H,5-6,9,13H2,1-4H3,(H,26,27)	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	3.60E+3	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)