Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor alpha' and Ligand = 'BDBM50012916'   

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))	BDBM50012916 (CHEMBL3261322 | USRE46024, 5) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)n[nH]c1=O Show InChI InChI=1S/C16H16Br2N2O4/c1-8(2)10-7-13(19-20-16(10)23)24-15-11(17)5-9(6-12(15)18)3-4-14(21)22/h5-8H,3-4H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
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