Found 8 hits Enzyme Inhibition Constant Data 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
(223/223 = 100%)† (Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)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
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Patents
Similars
| PDB Article PubMed
| 1.09 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay |
J Med Chem 51: 7075-93 (2009)
Article DOI: 10.1021/jm800824d BindingDB Entry DOI: 10.7270/Q21V5DT5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(223/223 = 100%)† (Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)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
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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
(223/223 = 100%)† (Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)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
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| PDB PubMed
| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(223/223 = 100%)† (Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)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
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Patents
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| PDB US Patent
| n/a | n/a | n/a | n/a | 74.7 | n/a | n/a | n/a | n/a |
OREGON HEALTH & SCIENCE UNIVERSITY
US Patent
| Assay Description Human epithelial kidney cells (HEK 293) were grown to 80% confluency in Dubelcco's modified Eagles 4.5 g/L glucose medium (high glucose DMEM) con... |
US Patent US10544075 (2020)
BindingDB Entry DOI: 10.7270/Q2NP26SZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(223/223 = 100%)† (Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)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
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Patents
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| PDB Article PubMed
| n/a | n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against Thyroid hormone receptor alpha1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(223/223 = 100%)† (Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description Binding affinity to human TRalpha1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706 BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(223/223 = 100%)† (Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)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
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Patents
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| PDB Article PubMed
| n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a |
University of California, San Francisco
| Assay Description Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega. |
Chem Biol 5: 299-306 (1998)
Article DOI: 10.1016/s1074-5521(98)90168-5 BindingDB Entry DOI: 10.7270/Q2W0949S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(223/223 = 100%)† (Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)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 PubMed
| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Half-maximum activation of human Thyroid hormone receptor alpha1 (hTRalpha1) |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |