Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM50036409'   

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 (RAT)	BDBM50036409 ((S)-2-Amino-3-[3,5-dibromo-4-(4-hydroxy-3-isopropy...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(C[C@H](N)C(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C18H19Br2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor				J Med Chem 38: 695-707 (1995) BindingDB Entry DOI: 10.7270/Q2T43TRC
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (RAT)	BDBM50036409 ((S)-2-Amino-3-[3,5-dibromo-4-(4-hydroxy-3-isopropy...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(C[C@H](N)C(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C18H19Br2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Ciba Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptor				J Med Chem 38: 695-707 (1995) BindingDB Entry DOI: 10.7270/Q2T43TRC
					More data for this Ligand-Target Pair