Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM50547835'   

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))	BDBM50547835 (CHEMBL4793166) Show SMILES COc1cc(cn2nc(NCc3cccc(Cl)c3)nc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |(16.59,-6.65,;15.26,-7.42,;15.26,-8.96,;13.93,-9.73,;13.93,-11.27,;15.27,-12.04,;16.61,-11.27,;18.09,-11.74,;18.99,-10.48,;20.53,-10.48,;21.31,-11.8,;20.55,-13.14,;21.33,-14.46,;20.57,-15.8,;19.03,-15.82,;18.25,-14.49,;16.71,-14.49,;19.01,-13.15,;18.07,-9.24,;16.6,-9.72,;12.6,-12.04,;12.6,-13.58,;11.27,-11.27,;11.27,-9.73,;9.94,-8.96,;9.95,-7.42,;8.6,-9.72,;8.6,-11.27,;9.93,-12.05,;9.93,-13.59,;8.84,-14.67,;9.93,-15.76,;9.92,-17.3,;11.02,-14.67,)| 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	9.40	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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