Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor alpha' and Ligand = 'BDBM50130597'   

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))	BDBM50130597 (2-Amino-3-[4-(4-hydroxy-3-isopropyl-benzyl)-3,5-di...) Show SMILES CC(C)c1cc(Cc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C21H27NO3/c1-12(2)17-9-15(5-6-20(17)23)10-18-13(3)7-16(8-14(18)4)11-19(22)21(24)25/h5-9,12,19,23H,10-11,22H2,1-4H3,(H,24,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.02	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity of compound was determined against Thyroid hormone receptor alpha1				J Med Chem 46: 3152-61 (2003) Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9
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