Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50044320   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A5 (unknown origin)				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012903 (CHEMBL3261328 | USRE46024, 17) Show SMILES CC(C)c1cc(Sc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C15H14Cl2N2O3S/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.88E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012904 (CHEMBL3261329) Show SMILES CC(C)c1cc(n[nH]c1=O)[S+]([O-])c1c(Cl)cc(CC(O)=O)cc1Cl Show InChI InChI=1S/C15H14Cl2N2O4S/c1-7(2)9-6-12(18-19-15(9)22)24(23)14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.17E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012859 (CHEMBL3261319 | USRE46024, 2) Show SMILES CC(C)c1cc(Oc2c(C)cc(CC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C16H17ClN2O4/c1-8(2)11-7-13(18-19-16(11)22)23-15-9(3)4-10(5-12(15)17)6-14(20)21/h4-5,7-8H,6H2,1-3H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012817 (CHEMBL3261330 | USRE46024, 19) Show SMILES CC(C)c1cc(n[nH]c1=O)S(=O)(=O)c1c(Cl)cc(CC(O)=O)cc1Cl Show InChI InChI=1S/C15H14Cl2N2O5S/c1-7(2)9-6-12(18-19-15(9)22)25(23,24)14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)	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	1.44E+4	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012902 (CHEMBL3261318 | USRE46024, 1) Show SMILES CC(C)c1cc(Oc2c(C)cc(CC(O)=O)cc2C)n[nH]c1=O Show InChI InChI=1S/C17H20N2O4/c1-9(2)13-8-14(18-19-17(13)22)23-16-10(3)5-12(6-11(16)4)7-15(20)21/h5-6,8-9H,7H2,1-4H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012906 (CHEMBL3261323 | USRE46024, 10) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)nn(C)c1=O Show InChI InChI=1S/C16H16Cl2N2O4/c1-8(2)10-7-13(19-20(3)16(10)23)24-15-11(17)4-9(5-12(15)18)6-14(21)22/h4-5,7-8H,6H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012907 (CHEMBL3261336 | USRE46024, 13) Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H15Cl2N5O3/c1-8(2)11-3-9(22-23-16(11)26)4-12-13(18)5-10(6-14(12)19)24-17(27)21-15(25)7-20-24/h3,5-8H,4H2,1-2H3,(H,23,26)(H,21,25,27)	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	820	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012908 (CHEMBL3261334 | USRE46024, 22) Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)nn(C)c1=O Show InChI InChI=1S/C19H16Cl2N6O3/c1-9(2)12-4-10(24-26(3)18(12)29)5-13-14(20)6-11(7-15(13)21)27-19(30)23-17(28)16(8-22)25-27/h4,6-7,9H,5H2,1-3H3,(H,23,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012903 (CHEMBL3261328 | USRE46024, 17) Show SMILES CC(C)c1cc(Sc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C15H14Cl2N2O3S/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012910 (CHEMBL3261326 | USRE46024, 14) Show SMILES CC(C)c1cc(Cc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C16H16Cl2N2O3/c1-8(2)11-6-10(19-20-16(11)23)7-12-13(17)3-9(4-14(12)18)5-15(21)22/h3-4,6,8H,5,7H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012901 (CHEMBL3261320 | USRE46024, 4) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C15H14Cl2N2O4/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)	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	2.38E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012911 (CHEMBL3261332 | USRE46024, 12) Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C18H14Cl2N6O3/c1-8(2)11-3-9(23-24-16(11)27)4-12-13(19)5-10(6-14(12)20)26-18(29)22-17(28)15(7-21)25-26/h3,5-6,8H,4H2,1-2H3,(H,24,27)(H,22,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012912 (CHEMBL3261321 | USRE46024, 3) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)n[nH]c1=O Show InChI InChI=1S/C15H14Br2N2O4/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)	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	3.28E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012910 (CHEMBL3261326 | USRE46024, 14) Show SMILES CC(C)c1cc(Cc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C16H16Cl2N2O3/c1-8(2)11-6-10(19-20-16(11)23)7-12-13(17)3-9(4-14(12)18)5-15(21)22/h3-4,6,8H,5,7H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50115668 (3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...) Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18869 (2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18860 ((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50115668 (3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...) Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18869 (2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012913 (CHEMBL3261333 | USRE46024, 16) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)nn(C)c1=O Show InChI InChI=1S/C18H14Cl2N6O4/c1-8(2)10-6-14(24-25(3)17(10)28)30-15-11(19)4-9(5-12(15)20)26-18(29)22-16(27)13(7-21)23-26/h4-6,8H,1-3H3,(H,22,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012907 (CHEMBL3261336 | USRE46024, 13) Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H15Cl2N5O3/c1-8(2)11-3-9(22-23-16(11)26)4-12-13(18)5-10(6-14(12)19)24-17(27)21-15(25)7-20-24/h3,5-8H,4H2,1-2H3,(H,23,26)(H,21,25,27)	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	90	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012914 (CHEMBL3261325) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NC(=O)C(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C15H13Cl2N3O5/c1-6(2)8-5-11(19-20-13(8)21)25-12-9(16)3-7(4-10(12)17)18-14(22)15(23)24/h3-6H,1-2H3,(H,18,22)(H,20,21)(H,23,24)	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	120	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012915 (CHEMBL3261335 | USRE46024, 9) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C16H13Cl2N5O4/c1-7(2)9-5-13(21-22-15(9)25)27-14-10(17)3-8(4-11(14)18)23-16(26)20-12(24)6-19-23/h3-7H,1-2H3,(H,22,25)(H,20,24,26)	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	120	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012908 (CHEMBL3261334 | USRE46024, 22) Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)nn(C)c1=O Show InChI InChI=1S/C19H16Cl2N6O3/c1-9(2)12-4-10(24-26(3)18(12)29)5-13-14(20)6-11(7-15(13)21)27-19(30)23-17(28)16(8-22)25-27/h4,6-7,9H,5H2,1-3H3,(H,23,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012914 (CHEMBL3261325) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NC(=O)C(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C15H13Cl2N3O5/c1-6(2)8-5-11(19-20-13(8)21)25-12-9(16)3-7(4-10(12)17)18-14(22)15(23)24/h3-6H,1-2H3,(H,18,22)(H,20,21)(H,23,24)	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	210	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012911 (CHEMBL3261332 | USRE46024, 12) Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C18H14Cl2N6O3/c1-8(2)11-3-9(23-24-16(11)27)4-12-13(19)5-10(6-14(12)20)26-18(29)22-17(28)15(7-21)25-26/h3,5-6,8H,4H2,1-2H3,(H,24,27)(H,22,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012913 (CHEMBL3261333 | USRE46024, 16) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)nn(C)c1=O Show InChI InChI=1S/C18H14Cl2N6O4/c1-8(2)10-6-14(24-25(3)17(10)28)30-15-11(19)4-9(5-12(15)20)26-18(29)22-16(27)13(7-21)23-26/h4-6,8H,1-3H3,(H,22,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012916 (CHEMBL3261322 | USRE46024, 5) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)n[nH]c1=O Show InChI InChI=1S/C16H16Br2N2O4/c1-8(2)10-7-13(19-20-16(10)23)24-15-11(17)5-9(6-12(15)18)3-4-14(21)22/h5-8H,3-4H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012915 (CHEMBL3261335 | USRE46024, 9) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C16H13Cl2N5O4/c1-7(2)9-5-13(21-22-15(9)25)27-14-10(17)3-8(4-11(14)18)23-16(26)20-12(24)6-19-23/h3-7H,1-2H3,(H,22,25)(H,20,24,26)	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	410	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012912 (CHEMBL3261321 | USRE46024, 3) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)n[nH]c1=O Show InChI InChI=1S/C15H14Br2N2O4/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)	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	460	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012917 (CHEMBL3261327 | USRE46024, 15) Show SMILES CC(C)c1cc(Cc2c(Br)cc(CC(O)=O)cc2Br)n[nH]c1=O Show InChI InChI=1S/C16H16Br2N2O3/c1-8(2)11-6-10(19-20-16(11)23)7-12-13(17)3-9(4-14(12)18)5-15(21)22/h3-4,6,8H,5,7H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012918 (CHEMBL3261324 | USRE46024, 6) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NCC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C15H15Cl2N3O4/c1-7(2)9-5-12(19-20-15(9)23)24-14-10(16)3-8(4-11(14)17)18-6-13(21)22/h3-5,7,18H,6H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012916 (CHEMBL3261322 | USRE46024, 5) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)n[nH]c1=O Show InChI InChI=1S/C16H16Br2N2O4/c1-8(2)10-7-13(19-20-16(10)23)24-15-11(17)5-9(6-12(15)18)3-4-14(21)22/h5-8H,3-4H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012918 (CHEMBL3261324 | USRE46024, 6) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NCC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C15H15Cl2N3O4/c1-7(2)9-5-12(19-20-15(9)23)24-14-10(16)3-8(4-11(14)17)18-6-13(21)22/h3-5,7,18H,6H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012917 (CHEMBL3261327 | USRE46024, 15) Show SMILES CC(C)c1cc(Cc2c(Br)cc(CC(O)=O)cc2Br)n[nH]c1=O Show InChI InChI=1S/C16H16Br2N2O3/c1-8(2)11-6-10(19-20-16(11)23)7-12-13(17)3-9(4-14(12)18)5-15(21)22/h3-4,6,8H,5,7H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012902 (CHEMBL3261318 | USRE46024, 1) Show SMILES CC(C)c1cc(Oc2c(C)cc(CC(O)=O)cc2C)n[nH]c1=O Show InChI InChI=1S/C17H20N2O4/c1-9(2)13-8-14(18-19-17(13)22)23-16-10(3)5-12(6-11(16)4)7-15(20)21/h5-6,8-9H,7H2,1-4H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.75E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012901 (CHEMBL3261320 | USRE46024, 4) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C15H14Cl2N2O4/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)	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	7.01E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012906 (CHEMBL3261323 | USRE46024, 10) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)nn(C)c1=O Show InChI InChI=1S/C16H16Cl2N2O4/c1-8(2)10-7-13(19-20(3)16(10)23)24-15-11(17)4-9(5-12(15)18)6-14(21)22/h4-5,7-8H,6H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	770	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012817 (CHEMBL3261330 | USRE46024, 19) Show SMILES CC(C)c1cc(n[nH]c1=O)S(=O)(=O)c1c(Cl)cc(CC(O)=O)cc1Cl Show InChI InChI=1S/C15H14Cl2N2O5S/c1-7(2)9-6-12(18-19-15(9)22)25(23,24)14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)	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	6.98E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012859 (CHEMBL3261319 | USRE46024, 2) Show SMILES CC(C)c1cc(Oc2c(C)cc(CC(O)=O)cc2Cl)n[nH]c1=O Show InChI InChI=1S/C16H17ClN2O4/c1-8(2)11-7-13(18-19-16(11)22)23-15-9(3)4-10(5-12(15)17)6-14(20)21/h4-5,7-8H,6H2,1-3H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.01E+3	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair