Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor alpha' and Ligand = 'BDBM50178972'   

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))	BDBM50178972 (4,6-dibromo-5-(4-hydroxy-3-isopropylphenoxy)-2,3-d...) Show SMILES CC(C)c1cc(Oc2c(Br)cc3CC(Cc3c2Br)C(O)=O)ccc1O Show InChI InChI=1S/C19H18Br2O4/c1-9(2)13-8-12(3-4-16(13)22)25-18-15(20)7-10-5-11(19(23)24)6-14(10)17(18)21/h3-4,7-9,11,22H,5-6H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Inhibition of human TRalpha1 by radioligand binding assay				Bioorg Med Chem Lett 16: 1240-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.077 BindingDB Entry DOI: 10.7270/Q2T72H1W
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50178972 (4,6-dibromo-5-(4-hydroxy-3-isopropylphenoxy)-2,3-d...) Show SMILES CC(C)c1cc(Oc2c(Br)cc3CC(Cc3c2Br)C(O)=O)ccc1O Show InChI InChI=1S/C19H18Br2O4/c1-9(2)13-8-12(3-4-16(13)22)25-18-15(20)7-10-5-11(19(23)24)6-14(10)17(18)21/h3-4,7-9,11,22H,5-6H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
Karo Bio AB Curated by ChEMBL					Assay Description Efficacy against TRAF-alpha-1 reporter cells				Bioorg Med Chem Lett 16: 1240-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.077 BindingDB Entry DOI: 10.7270/Q2T72H1W
					More data for this Ligand-Target Pair