Found 4 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM50178975' 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)) | BDBM50178975
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,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
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to TRbeta1 |
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 beta
(Homo sapiens (Human)) | BDBM50178975
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,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
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB
Curated by ChEMBL
| Assay Description
Inhibition of human TRbeta1 by radioligand binding assay |
Bioorg Med Chem Lett 16: 1240-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.077
BindingDB Entry DOI: 10.7270/Q2T72H1W |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50178975
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,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
| Article
PubMed
| n/a | n/a | 0.0603 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo
Curated by ChEMBL
| Assay Description
Inhibition of thyroid hormone receptor beta |
Bioorg Med Chem 15: 4609-17 (2007)
Article DOI: 10.1016/j.bmc.2007.04.015
BindingDB Entry DOI: 10.7270/Q2W37XJQ |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50178975
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,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
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a |
Karo Bio AB
Curated by ChEMBL
| Assay Description
Efficacy against TRAF-beta-1 reporter cells |
Bioorg Med Chem Lett 16: 1240-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.077
BindingDB Entry DOI: 10.7270/Q2T72H1W |
More data for this
Ligand-Target Pair | |
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