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BDBM18937 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid::4-hydroxy thyromimetic, 9s

SMILES: OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C2CCCCC2)c(Cl)c1

InChI Key: InChIKey=UTTJYFMWZBKOLA-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 18937   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM18937
PNG
(2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)p...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h6-9,11,13,23H,1-5,10H2,(H,24,25)
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Article
PubMed
n/an/a 258n/an/an/an/a7.04



Bristol-Myers Squibb



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18937
PNG
(2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)p...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h6-9,11,13,23H,1-5,10H2,(H,24,25)
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Article
PubMed
n/an/a 7.76n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18937
PNG
(2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)p...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h6-9,11,13,23H,1-5,10H2,(H,24,25)
PDB
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NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Bristol-Myers Squibb



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.


Bioorg Med Chem Lett 14: 3549-53 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.032
BindingDB Entry DOI: 10.7270/Q2736P5M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)