Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50043928 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)) | 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 | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448463
(CHEMBL3126367)Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448462
(CHEMBL3126369)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448461
(CHEMBL3126370)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,25,26) | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448462
(CHEMBL3126369)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448470
(CHEMBL3126368)Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(NC(=O)C(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)17-9-14(4-7-19(17)24)11-23-13(3)8-15-10-16(5-6-18(15)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448463
(CHEMBL3126367)Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448460
(CHEMBL3126371)Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)CC(O)=O)cccc23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)16-10-15(7-8-20(16)25)12-24-14(3)9-17-18(5-4-6-19(17)24)23-21(26)11-22(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448459
(CHEMBL3126372)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)CC(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(5-7-19(17)25)12-24-9-8-16-18(6-4-14(3)22(16)24)23-20(26)11-21(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448465
(CHEMBL3126375)Show SMILES CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27) | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448469
(CHEMBL3126377)Show SMILES CC(C)c1cc(Cn2c(C)c(CC(=O)NCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C23H26N2O4/c1-14(2)18-10-16(8-9-21(18)26)13-25-15(3)19(11-22(27)24-12-23(28)29)17-6-4-5-7-20(17)25/h4-10,14,26H,11-13H2,1-3H3,(H,24,27)(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448466
(CHEMBL3126374)Show SMILES CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(H,25,26) | 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 | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448468
(CHEMBL3126378)Show SMILES CC(C)c1cc(Cn2c(C)c(C(=O)NCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(8-9-19(17)25)12-24-14(3)21(22(28)23-11-20(26)27)16-6-4-5-7-18(16)24/h4-10,13,25H,11-12H2,1-3H3,(H,23,28)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448461
(CHEMBL3126370)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,25,26) | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448466
(CHEMBL3126374)Show SMILES CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(H,25,26) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448464
(CHEMBL3126376)Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28) | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448470
(CHEMBL3126368)Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(NC(=O)C(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)17-9-14(4-7-19(17)24)11-23-13(3)8-15-10-16(5-6-18(15)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448465
(CHEMBL3126375)Show SMILES CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27) | 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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448460
(CHEMBL3126371)Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)CC(O)=O)cccc23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)16-10-15(7-8-20(16)25)12-24-14(3)9-17-18(5-4-6-19(17)24)23-21(26)11-22(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448459
(CHEMBL3126372)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)CC(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(5-7-19(17)25)12-24-9-8-16-18(6-4-14(3)22(16)24)23-20(26)11-21(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448469
(CHEMBL3126377)Show SMILES CC(C)c1cc(Cn2c(C)c(CC(=O)NCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C23H26N2O4/c1-14(2)18-10-16(8-9-21(18)26)13-25-15(3)19(11-22(27)24-12-23(28)29)17-6-4-5-7-20(17)25/h4-10,14,26H,11-13H2,1-3H3,(H,24,27)(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448468
(CHEMBL3126378)Show SMILES CC(C)c1cc(Cn2c(C)c(C(=O)NCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(8-9-19(17)25)12-24-14(3)21(22(28)23-11-20(26)27)16-6-4-5-7-18(16)24/h4-10,13,25H,11-12H2,1-3H3,(H,23,28)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448464
(CHEMBL3126376)Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448465
(CHEMBL3126375)Show SMILES CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27) | 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 | 37 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448464
(CHEMBL3126376)Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28) | 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 | 62 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448463
(CHEMBL3126367)Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 110 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in human HepG2 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448462
(CHEMBL3126369)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 190 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in human HepG2 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448461
(CHEMBL3126370)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,25,26) | 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 | 550 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in human HepG2 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448460
(CHEMBL3126371)Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)CC(O)=O)cccc23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)16-10-15(7-8-20(16)25)12-24-14(3)9-17-18(5-4-6-19(17)24)23-21(26)11-22(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in human HepG2 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448459
(CHEMBL3126372)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)CC(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(5-7-19(17)25)12-24-9-8-16-18(6-4-14(3)22(16)24)23-20(26)11-21(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in human HepG2 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448466
(CHEMBL3126374)Show SMILES CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(H,25,26) | 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 | 37 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448467
(CHEMBL3126373)Show InChI InChI=1S/C21H23NO3/c1-13(2)17-10-15(8-9-20(17)23)12-22-14(3)18(11-21(24)25)16-6-4-5-7-19(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25) | 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 | 150 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448459
(CHEMBL3126372)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)CC(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(5-7-19(17)25)12-24-9-8-16-18(6-4-14(3)22(16)24)23-20(26)11-21(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448460
(CHEMBL3126371)Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)CC(O)=O)cccc23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)16-10-15(7-8-20(16)25)12-24-14(3)9-17-18(5-4-6-19(17)24)23-21(26)11-22(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
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 | 2.10 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRalpha1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448467
(CHEMBL3126373)Show InChI InChI=1S/C21H23NO3/c1-13(2)17-10-15(8-9-20(17)23)12-22-14(3)18(11-21(24)25)16-6-4-5-7-19(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25) | 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 | 450 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRalpha1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448466
(CHEMBL3126374)Show SMILES CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(H,25,26) | 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 | 39 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRalpha1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448465
(CHEMBL3126375)Show SMILES CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27) | 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 | 180 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRalpha1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50448464
(CHEMBL3126376)Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28) | 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 |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRalpha1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
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 | 2 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448461
(CHEMBL3126370)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,25,26) | 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 | 1.90E+3 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448462
(CHEMBL3126369)Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 500 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50448463
(CHEMBL3126367)Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27) | 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 | 590 | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay |
Bioorg Med Chem 22: 488-98 (2013)
Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN |
More data for this Ligand-Target Pair | |