Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM50547829'   

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 beta (Homo sapiens (Human))	BDBM50547829 (CHEMBL4776051) Show SMILES COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |r,wD:10.10,(20.64,-12.93,;19.31,-13.7,;19.32,-15.24,;17.99,-16.01,;17.98,-17.56,;19.32,-18.33,;20.66,-17.56,;22.14,-18.03,;23.04,-16.77,;24.58,-16.76,;25.36,-18.09,;26.9,-18.08,;24.6,-19.43,;25.38,-20.75,;24.63,-22.09,;23.08,-22.1,;22.3,-20.77,;20.76,-20.78,;23.06,-19.43,;22.12,-15.52,;20.65,-16.01,;16.65,-18.33,;16.65,-19.87,;15.32,-17.56,;15.32,-16.02,;13.99,-15.24,;14,-13.7,;12.65,-16.01,;12.65,-17.55,;13.98,-18.33,;13.98,-19.86,;12.89,-20.95,;13.98,-22.04,;13.97,-23.58,;15.07,-20.95,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01035 BindingDB Entry DOI: 10.7270/Q2Z60SND
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