Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM50375349'   

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))	BDBM50375349 (CHEMBL260482) Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(c2)C2CC2)c(I)c1 Show InChI InChI=1S/C19H16I2N2O4/c20-13-5-9(7-15-18(25)23-19(26)22-15)6-14(21)17(13)27-11-3-4-16(24)12(8-11)10-1-2-10/h3-6,8,10,24-25H,1-2,7H2,(H2,22,23,26)	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	49	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Displacement of [125I]T3 from human TRbeta receptor				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50375349 (CHEMBL260482) Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(c2)C2CC2)c(I)c1 Show InChI InChI=1S/C19H16I2N2O4/c20-13-5-9(7-15-18(25)23-19(26)22-15)6-14(21)17(13)27-11-3-4-16(24)12(8-11)10-1-2-10/h3-6,8,10,24-25H,1-2,7H2,(H2,22,23,26)	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	100	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50375349 (CHEMBL260482) Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(c2)C2CC2)c(I)c1 Show InChI InChI=1S/C19H16I2N2O4/c20-13-5-9(7-15-18(25)23-19(26)22-15)6-14(21)17(13)27-11-3-4-16(24)12(8-11)10-1-2-10/h3-6,8,10,24-25H,1-2,7H2,(H2,22,23,26)	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	2.00E+3	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair