Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM50448463'   

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))	BDBM50448463 (CHEMBL3126367) Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448463 (CHEMBL3126367) Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)	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	n/a	110	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in human HepG2 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448463 (CHEMBL3126367) Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)	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	n/a	590	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair