Found 33 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor alpha/beta' 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/beta
(Homo sapiens (Human)) | BDBM50508127
(CHEMBL4449687)Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2F)cc1 |(50.85,-41.06,;49.52,-41.85,;48.18,-41.09,;46.86,-41.88,;45.51,-41.12,;44.19,-41.9,;44.21,-43.43,;45.54,-44.2,;46.87,-43.42,;48.21,-44.18,;48.22,-45.72,;46.9,-46.5,;49.56,-46.47,;42.88,-44.22,;42.89,-45.76,;41.57,-46.54,;40.23,-45.77,;38.9,-46.55,;37.56,-45.8,;36.23,-46.58,;34.89,-45.82,;34.41,-44.35,;32.87,-44.36,;31.96,-43.12,;32.59,-41.71,;31.68,-40.47,;30.15,-40.63,;29.53,-42.05,;30.44,-43.29,;29.24,-39.39,;29.86,-37.98,;27.71,-39.56,;28.14,-38.29,;32.4,-45.83,;30.94,-46.31,;33.65,-46.72,;33.66,-48.26,;34.99,-49.03,;35,-50.58,;33.66,-51.35,;32.33,-50.58,;32.33,-49.03,;31,-48.26,;40.21,-44.24,;41.53,-43.46,)| Show InChI InChI=1S/C34H29F4N3O4/c1-2-45-30-19-14-24(20-25(30)21-32(42)43)23-12-10-22(11-13-23)6-5-9-31-39-41(27-17-15-26(16-18-27)34(36,37)38)33(44)40(31)29-8-4-3-7-28(29)35/h3-4,7-8,10-20H,2,5-6,9,21H2,1H3,(H,42,43) | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at thyroid hormone receptor (unknown origin) |
Bioorg Med Chem Lett 29: 503-508 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.045
BindingDB Entry DOI: 10.7270/Q2XK8JVQ |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163889
(CHEMBL182430 | N-[3-Chloro-4-(3-isopropyl-1H-indol...)Show SMILES CCOC(=O)CC(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1 Show InChI InChI=1S/C23H25ClN2O4/c1-5-29-22(28)11-21(27)26-15-8-14(4)23(19(24)9-15)30-16-6-7-20-17(10-16)18(12-25-20)13(2)3/h6-10,12-13,25H,5,11H2,1-4H3,(H,26,27) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163890
(CHEMBL183050 | N-[4-(3-Isopropyl-1H-indol-5-yloxy)...)Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(C)c1 Show InChI InChI=1S/C23H26N2O4/c1-6-28-23(27)22(26)25-16-9-14(4)21(15(5)10-16)29-17-7-8-20-18(11-17)19(12-24-20)13(2)3/h7-13,24H,6H2,1-5H3,(H,25,26) | PDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163891
(CHEMBL360774 | N-{4-[3-(4-Fluoro-phenyl)-1H-indol-...)Show SMILES CCOC(=O)C(=O)Nc1cc(c(Oc2ccc3[nH]cc(-c4ccc(F)cc4)c3c2)c(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H17F7N2O4/c1-2-38-24(37)23(36)35-15-9-19(25(28,29)30)22(20(10-15)26(31,32)33)39-16-7-8-21-17(11-16)18(12-34-21)13-3-5-14(27)6-4-13/h3-12,34H,2H2,1H3,(H,35,36) | PDB
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | n/a | n/a | 115 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163892
(CHEMBL183851 | N-[3,5-Dimethyl-4-(3-pentyl-1H-inda...)Show SMILES CCCCCc1n[nH]c2ccc(Oc3c(C)cc(NC(=O)C(=O)OCC)cc3C)cc12 Show InChI InChI=1S/C24H29N3O4/c1-5-7-8-9-20-19-14-18(10-11-21(19)27-26-20)31-22-15(3)12-17(13-16(22)4)25-23(28)24(29)30-6-2/h10-14H,5-9H2,1-4H3,(H,25,28)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163893
(CHEMBL183057 | N-[3,5-Dimethyl-4-(3-methyl-1H-indo...)Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C)c3c2)c(C)c1 Show InChI InChI=1S/C21H22N2O4/c1-5-26-21(25)20(24)23-15-8-12(2)19(13(3)9-15)27-16-6-7-18-17(10-16)14(4)11-22-18/h6-11,22H,5H2,1-4H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163895
((S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3-iodo...)Show SMILES Cc1cc(C[C@H](N)C(O)=O)cc(I)c1Oc1ccc(O)c(I)c1 Show InChI InChI=1S/C16H15I2NO4/c1-8-4-9(6-13(19)16(21)22)5-12(18)15(8)23-10-2-3-14(20)11(17)7-10/h2-5,7,13,20H,6,19H2,1H3,(H,21,22)/t13-/m0/s1 | PDB
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163894
(CHEMBL183863 | N-{4-[3-(4-Fluoro-benzyl)-1H-indol-...)Show SMILES CCOC(=O)C(=O)Nc1cc(c(Oc2ccc3[nH]cc(Cc4ccc(F)cc4)c3c2)c(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H19F7N2O4/c1-2-39-25(38)24(37)36-17-10-20(26(29,30)31)23(21(11-17)27(32,33)34)40-18-7-8-22-19(12-18)15(13-35-22)9-14-3-5-16(28)6-4-14/h3-8,10-13,35H,2,9H2,1H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163896
(CHEMBL183000 | N-[4-(3-Isopropyl-1H-indol-5-yloxy)...)Show SMILES CCOC(=O)C(=O)Nc1cc(C=C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(C=C)c1 Show InChI InChI=1S/C25H26N2O4/c1-6-16-11-18(27-24(28)25(29)30-8-3)12-17(7-2)23(16)31-19-9-10-22-20(13-19)21(14-26-22)15(4)5/h6-7,9-15,26H,1-2,8H2,3-5H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163898
(CHEMBL359647 | N-[3-Chloro-4-(3-isopropyl-1H-indol...)Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1 Show InChI InChI=1S/C22H23ClN2O4/c1-5-28-22(27)21(26)25-14-8-13(4)20(18(23)9-14)29-15-6-7-19-16(10-15)17(11-24-19)12(2)3/h6-12,24H,5H2,1-4H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163897
(3-[4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-triflu...)Show SMILES CC(C)c1c[nH]c2ccc(Oc3c(cc(CCC(O)=O)cc3C(F)(F)F)C(F)(F)F)cc12 Show InChI InChI=1S/C22H19F6NO3/c1-11(2)15-10-29-18-5-4-13(9-14(15)18)32-20-16(21(23,24)25)7-12(3-6-19(30)31)8-17(20)22(26,27)28/h4-5,7-11,29H,3,6H2,1-2H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163902
(CHEMBL183727 | N-[3,5-Dichloro-4-(1H-indol-5-yloxy...)Show SMILES CCOC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc3[nH]ccc3c2)c(Cl)c1 Show InChI InChI=1S/C18H14Cl2N2O4/c1-2-25-18(24)17(23)22-11-8-13(19)16(14(20)9-11)26-12-3-4-15-10(7-12)5-6-21-15/h3-9,21H,2H2,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163899
(CHEMBL183122 | N-[3,5-Dichloro-4-(3-isopropyl-1H-i...)Show SMILES COC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1 Show InChI InChI=1S/C20H18Cl2N2O4/c1-10(2)14-9-23-17-5-4-12(8-13(14)17)28-18-15(21)6-11(7-16(18)22)24-19(25)20(26)27-3/h4-10,23H,1-3H3,(H,24,25) | PDB
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antibodypedia
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163900
((E)-3-[4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-tr...)Show SMILES CC(C)c1c[nH]c2ccc(Oc3c(cc(\C=C\C(O)=O)cc3C(F)(F)F)C(F)(F)F)cc12 Show InChI InChI=1S/C22H17F6NO3/c1-11(2)15-10-29-18-5-4-13(9-14(15)18)32-20-16(21(23,24)25)7-12(3-6-19(30)31)8-17(20)22(26,27)28/h3-11,29H,1-2H3,(H,30,31)/b6-3+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163901
(CHEMBL360137 | N-[3,5-Dibromo-4-(3-isopropyl-1H-in...)Show SMILES CCOC(=O)C(=O)Nc1cc(Br)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Br)c1 Show InChI InChI=1S/C21H20Br2N2O4/c1-4-28-21(27)20(26)25-12-7-16(22)19(17(23)8-12)29-13-5-6-18-14(9-13)15(10-24-18)11(2)3/h5-11,24H,4H2,1-3H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163904
(CHEMBL180952 | N-[4-(3-Isopropyl-1H-indol-5-ylmeth...)Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Cc2ccc3[nH]cc(C(C)C)c3c2)c(C)c1 Show InChI InChI=1S/C24H28N2O3/c1-6-29-24(28)23(27)26-18-9-15(4)19(16(5)10-18)11-17-7-8-22-20(12-17)21(13-25-22)14(2)3/h7-10,12-14,25H,6,11H2,1-5H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163905
(CHEMBL183829 | N-[4-(1H-Indol-5-yloxy)-3,5-dimethy...)Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]ccc3c2)c(C)c1 Show InChI InChI=1S/C20H20N2O4/c1-4-25-20(24)19(23)22-15-9-12(2)18(13(3)10-15)26-16-5-6-17-14(11-16)7-8-21-17/h5-11,21H,4H2,1-3H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163903
(CHEMBL180819 | N-{4-[3-(4-Fluoro-phenoxy)-1H-indol...)Show SMILES CCOC(=O)C(=O)Nc1cc(c(Oc2ccc3[nH]cc(Oc4ccc(F)cc4)c3c2)c(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H17F7N2O5/c1-2-38-24(37)23(36)35-14-9-18(25(28,29)30)22(19(10-14)26(31,32)33)40-16-7-8-20-17(11-16)21(12-34-20)39-15-5-3-13(27)4-6-15/h3-12,34H,2H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 495 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163906
(CHEMBL361162 | [4-(3-Isopropyl-1H-indol-5-yloxy)-3...)Show SMILES CC(C)c1c[nH]c2ccc(Oc3c(cc(CC(O)=O)cc3C(F)(F)F)C(F)(F)F)cc12 Show InChI InChI=1S/C21H17F6NO3/c1-10(2)14-9-28-17-4-3-12(8-13(14)17)31-19-15(20(22,23)24)5-11(7-18(29)30)6-16(19)21(25,26)27/h3-6,8-10,28H,7H2,1-2H3,(H,29,30) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477498
(CHEMBL245504)Show InChI InChI=1S/C18H16O5/c1-10(2)14-9-13(3-5-15(14)19)22-12-4-6-16-11(7-12)8-17(23-16)18(20)21/h3-10,19H,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477499
(CHEMBL247912)Show SMILES OC(=O)c1cc2c(Br)c(Oc3ccc(O)c(c3)C(=O)c3ccc(F)cc3)c(Br)cc2o1 Show InChI InChI=1S/C22H11Br2FO6/c23-15-9-17-14(8-18(31-17)22(28)29)19(24)21(15)30-12-5-6-16(26)13(7-12)20(27)10-1-3-11(25)4-2-10/h1-9,26H,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477500
(CHEMBL248314)Show InChI InChI=1S/C20H20O5/c1-10(2)14-8-13(5-6-16(14)21)24-19-11(3)7-17-15(12(19)4)9-18(25-17)20(22)23/h5-10,21H,1-4H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477501
(CHEMBL245462)Show SMILES CC(C)c1cc(Oc2c(cc(CC3SC(=O)NC3=O)cc2C(C)C)C(C)C)ccc1O Show InChI InChI=1S/C25H31NO4S/c1-13(2)18-12-17(7-8-21(18)27)30-23-19(14(3)4)9-16(10-20(23)15(5)6)11-22-24(28)26-25(29)31-22/h7-10,12-15,22,27H,11H2,1-6H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477502
(CHEMBL247913)Show SMILES OC(c1ccc(F)cc1)c1cc(Oc2c(Br)cc3oc(cc3c2Br)C(O)=O)ccc1O Show InChI InChI=1S/C22H13Br2FO6/c23-15-9-17-14(8-18(31-17)22(28)29)19(24)21(15)30-12-5-6-16(26)13(7-12)20(27)10-1-3-11(25)4-2-10/h1-9,20,26-27H,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477503
(CHEMBL245508)Show SMILES COc1ccc(Oc2c(Br)cc3oc(cc3c2Br)C(O)=O)cc1C(C)C Show InChI InChI=1S/C19H16Br2O5/c1-9(2)11-6-10(4-5-14(11)24-3)25-18-13(20)8-15-12(17(18)21)7-16(26-15)19(22)23/h4-9H,1-3H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477504
(CHEMBL393914)Show InChI InChI=1S/C18H16O5/c1-10-7-15-12(8-16(20)21)9-22-18(15)11(2)17(10)23-14-5-3-13(19)4-6-14/h3-7,9,19H,8H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477505
(CHEMBL248515)Show SMILES CC(C)c1cc(Oc2c(C)cc3c(CC(O)=O)coc3c2C)ccc1O Show InChI InChI=1S/C21H22O5/c1-11(2)16-9-15(5-6-18(16)22)26-20-12(3)7-17-14(8-19(23)24)10-25-21(17)13(20)4/h5-7,9-11,22H,8H2,1-4H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477506
(CHEMBL392666)Show SMILES CC(C)c1cc(Oc2c(C)ccc(CC3CC(=O)NC(=O)S3)c2C)ccc1O Show InChI InChI=1S/C22H25NO4S/c1-12(2)18-10-16(7-8-19(18)24)27-21-13(3)5-6-15(14(21)4)9-17-11-20(25)23-22(26)28-17/h5-8,10,12,17,24H,9,11H2,1-4H3,(H,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477507
(CHEMBL248111)Show SMILES CC(C)c1cc(Oc2c(C)cc(CC3SC(=O)NC3=O)cc2C)ccc1O Show InChI InChI=1S/C21H23NO4S/c1-11(2)16-10-15(5-6-17(16)23)26-19-12(3)7-14(8-13(19)4)9-18-20(24)22-21(25)27-18/h5-8,10-11,18,23H,9H2,1-4H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477508
(CHEMBL248315)Show SMILES CC(C)c1cc(Oc2c(C)cc3OC(CC(O)=O)Cc3c2C)ccc1O Show InChI InChI=1S/C21H24O5/c1-11(2)16-8-14(5-6-18(16)22)26-21-12(3)7-19-17(13(21)4)9-15(25-19)10-20(23)24/h5-8,11,15,22H,9-10H2,1-4H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477509
(CHEMBL395954)Show SMILES CC(C)c1cc(Oc2c(Br)cc3oc(cc3c2Br)C(O)=O)ccc1O Show InChI InChI=1S/C18H14Br2O5/c1-8(2)10-5-9(3-4-13(10)21)24-17-12(19)7-14-11(16(17)20)6-15(25-14)18(22)23/h3-8,21H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163887
(CHEMBL183565 | N-[4-(1H-Indol-5-yloxy)-3,5-bis-tri...)Show SMILES CCOC(=O)C(=O)Nc1cc(c(Oc2ccc3[nH]ccc3c2)c(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H14F6N2O4/c1-2-31-18(30)17(29)28-11-8-13(19(21,22)23)16(14(9-11)20(24,25)26)32-12-3-4-15-10(7-12)5-6-27-15/h3-9,27H,2H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50163888
(CHEMBL183176 | N-[4-(3-Isopropyl-1H-indol-5-yloxy)...)Show SMILES CCOC(=O)C(=O)Nc1cc(c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F6N2O4/c1-4-34-21(33)20(32)31-12-7-16(22(24,25)26)19(17(8-12)23(27,28)29)35-13-5-6-18-14(9-13)15(10-30-18)11(2)3/h5-11,30H,4H2,1-3H3,(H,31,32) | PDB
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antibodypedia
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PC cid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
BAYER HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells |
Bioorg Med Chem Lett 15: 1835-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.028
BindingDB Entry DOI: 10.7270/Q290239F |
More data for this
Ligand-Target Pair | |
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