Found 37 hits of kd data for polymerid = 1951 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)) | 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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4 |
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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0580 | 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
(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 | 0.0600 | 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
(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 PubMed
| n/a | n/a | n/a | 0.100 | 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
(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 PubMed
| n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1) |
Bioorg Med Chem Lett 11: 2821-5 (2001)
BindingDB Entry DOI: 10.7270/Q21Z43QR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(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
Similars
| 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
(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 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
(Homo sapiens (Human)) | BDBM50130594
(3-[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-p...)Show InChI InChI=1S/C21H26O3/c1-13(2)18-11-17(5-7-20(18)22)12-19-14(3)9-16(10-15(19)4)6-8-21(23)24/h5,7,9-11,13,22H,6,8,12H2,1-4H3,(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 | 0.690 | 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4 |
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 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 | 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
(Homo sapiens (Human)) | BDBM50130597
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-benzyl)-3,5-di...)Show SMILES CC(C)c1cc(Cc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C21H27NO3/c1-12(2)17-9-15(5-6-20(17)23)10-18-13(3)7-16(8-14(18)4)11-19(22)21(24)25/h5-9,12,19,23H,10-11,22H2,1-4H3,(H,24,25)/t19-/m0/s1 | 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 | 2.02 | 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50130596
(CHEMBL419016 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)Show InChI InChI=1S/C19H22O5/c1-11(2)16-9-14(5-6-17(16)20)24-19-12(3)7-15(8-13(19)4)23-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(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
| Article PubMed
| n/a | n/a | n/a | 2.40 | 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 | |
Thyroid hormone receptor alpha
(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 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
(Homo sapiens (Human)) | BDBM50115666
(CHEMBL109430 | {4-[4-Hydroxy-3-isopropyl-5-(4-pent...)Show SMILES CCCCCc1ccc(cc1)C#Cc1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C(C)C)c1O Show InChI InChI=1S/C33H38O4/c1-6-7-8-9-25-10-12-26(13-11-25)14-15-28-18-27(19-30(22(2)3)33(28)36)20-31-23(4)16-29(17-24(31)5)37-21-32(34)35/h10-13,16-19,22,36H,6-9,20-21H2,1-5H3,(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 5.20 | 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50130595
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1 | 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 | 8.5 | 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50130595
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1 | 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 | 9.70 | 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375345
(CHEMBL264153)Show SMILES CCc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C18H16I2N2O4/c1-2-10-8-11(3-4-15(10)23)26-16-12(19)5-9(6-13(16)20)7-14-17(24)22-18(25)21-14/h3-6,8,23-24H,2,7H2,1H3,(H2,21,22,25) | 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 | 15 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375350
(CHEMBL263631)Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | 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 | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375343
(CHEMBL259096)Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 Show InChI InChI=1S/C16H11I3N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24) | 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 | 24 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375349
(CHEMBL260482)Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(c2)C2CC2)c(I)c1 Show InChI InChI=1S/C19H16I2N2O4/c20-13-5-9(7-15-18(25)23-19(26)22-15)6-14(21)17(13)27-11-3-4-16(24)12(8-11)10-1-2-10/h3-6,8,10,24-25H,1-2,7H2,(H2,22,23,26) | 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 | 25 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375346
(CHEMBL264152)Show SMILES Cc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C17H14I2N2O4/c1-8-4-10(2-3-14(8)22)25-15-11(18)5-9(6-12(15)19)7-13-16(23)21-17(24)20-13/h2-6,22-23H,7H2,1H3,(H2,20,21,24) | 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 | 42 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375342
(CHEMBL258886)Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1 Show InChI InChI=1S/C16H11BrI2N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24) | 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 | 43 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375347
(CHEMBL264410)Show SMILES COc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C17H14I2N2O5/c1-25-14-7-9(2-3-13(14)22)26-15-10(18)4-8(5-11(15)19)6-12-16(23)21-17(24)20-12/h2-5,7,22-23H,6H2,1H3,(H2,20,21,24) | 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 | 82 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18885
(2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(p...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O Show InChI InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 93 | 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50105670
(CHEMBL318132 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...)Show SMILES CCCCN(C)C(=O)CCCCCCCCCCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C Show InChI InChI=1S/C36H55NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h19-20,22-24,26,31,38H,7-18,21,25H2,1-6H3,(H,40,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1) |
Bioorg Med Chem Lett 11: 2821-5 (2001)
BindingDB Entry DOI: 10.7270/Q21Z43QR |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18884
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| PubMed
| n/a | n/a | n/a | 200 | 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18884
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50105668
(CHEMBL264527 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...)Show SMILES CCCCN(C)C(=O)CCCCCC\C=C/CCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C Show InChI InChI=1S/C36H53NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h11,13,19-20,22-24,26,31,38H,7-10,12,14-18,21,25H2,1-6H3,(H,40,41)/b13-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1) |
Bioorg Med Chem Lett 11: 2821-5 (2001)
BindingDB Entry DOI: 10.7270/Q21Z43QR |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM36488
(CO22)Show SMILES CC(C)c1cc(Oc2c(C)cc(Cc3[nH]c(=O)[nH]c3O)cc2C)ccc1O Show InChI InChI=1S/C21H24N2O4/c1-11(2)16-10-15(5-6-18(16)24)27-19-12(3)7-14(8-13(19)4)9-17-20(25)23-21(26)22-17/h5-8,10-11,24-25H,9H2,1-4H3,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 286 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50115669
(CHEMBL110158 | {4-[3-(4-Amino-phenylethynyl)-4-hyd...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(N)cc2)c1O Show InChI InChI=1S/C28H29NO4/c1-17(2)25-14-21(13-22(28(25)32)8-5-20-6-9-23(29)10-7-20)15-26-18(3)11-24(12-19(26)4)33-16-27(30)31/h6-7,9-14,17,32H,15-16,29H2,1-4H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 330 | 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50105669
(CHEMBL97613 | {4-[1-(4-Hydroxy-3-isopropyl-phenyl)...)Show SMILES CC(C)c1cc(ccc1O)C(CC=C)c1c(C)cc(OCC(O)=O)cc1C Show InChI InChI=1S/C23H28O4/c1-6-7-19(17-8-9-21(24)20(12-17)14(2)3)23-15(4)10-18(11-16(23)5)27-13-22(25)26/h6,8-12,14,19,24H,1,7,13H2,2-5H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1) |
Bioorg Med Chem Lett 11: 2821-5 (2001)
BindingDB Entry DOI: 10.7270/Q21Z43QR |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50115667
(CHEMBL111953 | [4-(4-Hydroxy-3-isopropyl-5-phenyle...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccccc2)c1O Show InChI InChI=1S/C28H28O4/c1-18(2)25-15-22(14-23(28(25)31)11-10-21-8-6-5-7-9-21)16-26-19(3)12-24(13-20(26)4)32-17-27(29)30/h5-9,12-15,18,31H,16-17H2,1-4H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 490 | 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 | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50105671
(CHEMBL97187 | {4-[(2,4-Dimethoxy-phenyl)-(4-hydrox...)Show SMILES COc1ccc(C(c2ccc(O)c(c2)C(C)C)c2c(C)cc(OCC(O)=O)cc2C)c(OC)c1 Show InChI InChI=1S/C28H32O6/c1-16(2)23-13-19(7-10-24(23)29)28(22-9-8-20(32-5)14-25(22)33-6)27-17(3)11-21(12-18(27)4)34-15-26(30)31/h7-14,16,28-29H,15H2,1-6H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1) |
Bioorg Med Chem Lett 11: 2821-5 (2001)
BindingDB Entry DOI: 10.7270/Q21Z43QR |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50105667
(CHEMBL98135 | {4-[4-Hydroxy-1-(4-hydroxy-3-isoprop...)Show SMILES CC(C)c1cc(ccc1O)C(CCCO)c1c(C)cc(OCC(O)=O)cc1C Show InChI InChI=1S/C23H30O5/c1-14(2)20-12-17(7-8-21(20)25)19(6-5-9-24)23-15(3)10-18(11-16(23)4)28-13-22(26)27/h7-8,10-12,14,19,24-25H,5-6,9,13H2,1-4H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1) |
Bioorg Med Chem Lett 11: 2821-5 (2001)
BindingDB Entry DOI: 10.7270/Q21Z43QR |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375344
(CHEMBL407819)Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 Show InChI InChI=1S/C16H12I2N2O4/c17-11-5-8(7-13-15(22)20-16(23)19-13)6-12(18)14(11)24-10-3-1-9(21)2-4-10/h1-6,21-22H,7H2,(H2,19,20,23) | 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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |