Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor alpha' and Ligand = 'BDBM18949'   

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))	BDBM18949 (2-(3,5-dibromo-4-{4-hydroxy-3-[(3-phenylpropyl)car...) Show SMILES OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(=O)NCCCc2ccccc2)c(Br)c1 Show InChI InChI=1S/C24H21Br2NO5/c25-19-11-16(13-22(29)30)12-20(26)23(19)32-17-8-9-21(28)18(14-17)24(31)27-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,28H,4,7,10,13H2,(H,27,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18949 (2-(3,5-dibromo-4-{4-hydroxy-3-[(3-phenylpropyl)car...) Show SMILES OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(=O)NCCCc2ccccc2)c(Br)c1 Show InChI InChI=1S/C24H21Br2NO5/c25-19-11-16(13-22(29)30)12-20(26)23(19)32-17-8-9-21(28)18(14-17)24(31)27-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,28H,4,7,10,13H2,(H,27,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of thyroid hormone receptor alpha				Bioorg Med Chem 15: 4609-17 (2007) Article DOI: 10.1016/j.bmc.2007.04.015 BindingDB Entry DOI: 10.7270/Q2W37XJQ
					More data for this Ligand-Target Pair