Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor alpha' and Ligand = 'BDBM18914'   

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))	BDBM18914 (2-[4-(3-bromo-4-propanamidophenoxy)-3,5-dichloroph...) Show SMILES CCC(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C17H14BrCl2NO4/c1-2-15(22)21-14-4-3-10(8-11(14)18)25-17-12(19)5-9(6-13(17)20)7-16(23)24/h3-6,8H,2,7H2,1H3,(H,21,22)(H,23,24)	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	3.30E+3	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 hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18914 (2-[4-(3-bromo-4-propanamidophenoxy)-3,5-dichloroph...) Show SMILES CCC(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C17H14BrCl2NO4/c1-2-15(22)21-14-4-3-10(8-11(14)18)25-17-12(19)5-9(6-13(17)20)7-16(23)24/h3-6,8H,2,7H2,1H3,(H,21,22)(H,23,24)	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	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of thyroid hormone receptor alpha				Bioorg Med Chem 15: 4609-17 (2007) Article DOI: 10.1016/j.bmc.2007.04.015 BindingDB Entry DOI: 10.7270/Q2W37XJQ
					More data for this Ligand-Target Pair