Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor alpha' and Ligand = 'BDBM50425403'   

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))	BDBM50425403 (CHEMBL2312265) Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(c1)C(O)Cc1ccccc1 Show InChI InChI=1S/C27H27NO6/c1-16-12-22(28-25(31)15-26(32)33)19-8-5-9-20(19)27(16)34-18-10-11-23(29)21(14-18)24(30)13-17-6-3-2-4-7-17/h2-4,6-7,10-12,14,24,29-30H,5,8-9,13,15H2,1H3,(H,28,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting				Bioorg Med Chem 21: 592-607 (2013) Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW
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