Found 32 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063687
(CHEMBL3397339)Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C21H22ClNO4/c1-12(2)17-7-14(4-5-19(17)24)10-23-13(3)6-15-8-16(27-11-20(25)26)9-18(22)21(15)23/h4-9,12,24H,10-11H2,1-3H3,(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
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063689
(CHEMBL3397337)Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C20H20ClNO4/c1-12(2)16-7-13(3-4-18(16)23)10-22-6-5-14-8-15(26-11-19(24)25)9-17(21)20(14)22/h3-9,12,23H,10-11H2,1-2H3,(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
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063755
(CHEMBL3397341)Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C21H22ClNO4/c1-12(2)16-6-14(4-5-19(16)24)10-23-9-13(3)17-7-15(27-11-20(25)26)8-18(22)21(17)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063688
(CHEMBL3397338)Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C22H25NO4/c1-13(2)19-9-16(5-6-20(19)24)11-23-15(4)8-17-10-18(27-12-21(25)26)7-14(3)22(17)23/h5-10,13,24H,11-12H2,1-4H3,(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
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063686
(CHEMBL3397340)Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C22H25NO4/c1-13(2)18-8-16(5-6-20(18)24)11-23-10-15(4)19-9-17(27-12-21(25)26)7-14(3)22(19)23/h5-10,13,24H,11-12H2,1-4H3,(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
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063690
(CHEMBL3397336)Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-5-19(18)23)11-22-7-6-16-10-17(26-12-20(24)25)8-14(3)21(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
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063754
(CHEMBL3397342)Show SMILES Cc1cn(Cc2ccc(O)c(c2)C(C)(C)C)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C22H25NO4/c1-14-11-23(12-15-5-8-20(24)18(9-15)22(2,3)4)19-7-6-16(10-17(14)19)27-13-21(25)26/h5-11,24H,12-13H2,1-4H3,(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
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063689
(CHEMBL3397337)Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C20H20ClNO4/c1-12(2)16-7-13(3-4-18(16)23)10-22-6-5-14-8-15(26-11-19(24)25)9-17(21)20(14)22/h3-9,12,23H,10-11H2,1-2H3,(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
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063687
(CHEMBL3397339)Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C21H22ClNO4/c1-12(2)17-7-14(4-5-19(17)24)10-23-13(3)6-15-8-16(27-11-20(25)26)9-18(22)21(15)23/h4-9,12,24H,10-11H2,1-3H3,(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
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063691
(CHEMBL3397335)Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)17-8-15(4-7-20(17)23)11-22-10-14(3)18-9-16(5-6-19(18)22)26-12-21(24)25/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
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063755
(CHEMBL3397341)Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C21H22ClNO4/c1-12(2)16-6-14(4-5-19(16)24)10-23-9-13(3)17-7-15(27-11-20(25)26)8-18(22)21(17)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063752
(CHEMBL3397343)Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063751
(CHEMBL3397344)Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCC2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(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
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063693
(CHEMBL3397333)Show InChI InChI=1S/C20H21NO4/c1-13(2)17-9-14(3-6-19(17)22)11-21-8-7-15-10-16(4-5-18(15)21)25-12-20(23)24/h3-10,13,22H,11-12H2,1-2H3,(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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063690
(CHEMBL3397336)Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-5-19(18)23)11-22-7-6-16-10-17(26-12-20(24)25)8-14(3)21(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
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063692
(CHEMBL3397334)Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-7-20(18)23)11-22-14(3)8-16-10-17(5-6-19(16)22)26-12-21(24)25/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
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063750
(CHEMBL3397345)Show SMILES Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H29NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h7-10,12-14,18,27H,2-6,11,15-16H2,1H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063688
(CHEMBL3397338)Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C22H25NO4/c1-13(2)19-9-16(5-6-20(19)24)11-23-15(4)8-17-10-18(27-12-21(25)26)7-14(3)22(17)23/h5-10,13,24H,11-12H2,1-4H3,(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
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063686
(CHEMBL3397340)Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C22H25NO4/c1-13(2)18-8-16(5-6-20(18)24)11-23-10-15(4)19-9-17(27-12-21(25)26)7-14(3)22(19)23/h5-10,13,24H,11-12H2,1-4H3,(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
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063695
(CHEMBL3397346)Show SMILES Cc1cn(Cc2ccc(O)c(c2)-c2ccccc2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H21NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h2-13,26H,14-15H2,1H3,(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
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063691
(CHEMBL3397335)Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)17-8-15(4-7-20(17)23)11-22-10-14(3)18-9-16(5-6-19(18)22)26-12-21(24)25/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
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063694
(CHEMBL3397347)Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCCC2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H27NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h7-13,18,26H,2-6,14-15H2,1H3,(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
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063754
(CHEMBL3397342)Show SMILES Cc1cn(Cc2ccc(O)c(c2)C(C)(C)C)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C22H25NO4/c1-14-11-23(12-15-5-8-20(24)18(9-15)22(2,3)4)19-7-6-16(10-17(14)19)27-13-21(25)26/h5-11,24H,12-13H2,1-4H3,(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
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063693
(CHEMBL3397333)Show InChI InChI=1S/C20H21NO4/c1-13(2)17-9-14(3-6-19(17)22)11-21-8-7-15-10-16(4-5-18(15)21)25-12-20(23)24/h3-10,13,22H,11-12H2,1-2H3,(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
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063692
(CHEMBL3397334)Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-7-20(18)23)11-22-14(3)8-16-10-17(5-6-19(16)22)26-12-21(24)25/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
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063751
(CHEMBL3397344)Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCC2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(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
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063752
(CHEMBL3397343)Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063750
(CHEMBL3397345)Show SMILES Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H29NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h7-10,12-14,18,27H,2-6,11,15-16H2,1H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063695
(CHEMBL3397346)Show SMILES Cc1cn(Cc2ccc(O)c(c2)-c2ccccc2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H21NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h2-13,26H,14-15H2,1H3,(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
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063694
(CHEMBL3397347)Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCCC2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H27NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h7-13,18,26H,2-6,14-15H2,1H3,(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
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet... |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50063752
(CHEMBL3397343)Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at TRalpha (unknown origin) expressed in human HuH7 cells after 24 hrs by Gal4 CTF cell-based assay |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50063752
(CHEMBL3397343)Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 406 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at TRbeta (unknown origin) expressed in human HuH7 cells after 24 hrs by Gal4 CTF cell-based assay |
Bioorg Med Chem Lett 25: 1377-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G |
More data for this
Ligand-Target Pair | |
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