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SMILES: CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O

InChI Key: InChIKey=KYMRCMVDQPTGCO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50448464   
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 beta


(Homo sapiens (Human))
BDBM50448464
PNG
(CHEMBL3126376)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28)
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Article
PubMed
n/an/an/an/a 62n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay


Bioorg Med Chem 22: 488-98 (2013)


Article DOI: 10.1016/j.bmc.2013.11.001
BindingDB Entry DOI: 10.7270/Q2H41SXN
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50448464
PNG
(CHEMBL3126376)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


Bioorg Med Chem 22: 488-98 (2013)


Article DOI: 10.1016/j.bmc.2013.11.001
BindingDB Entry DOI: 10.7270/Q2H41SXN
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50448464
PNG
(CHEMBL3126376)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28)
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


Bioorg Med Chem 22: 488-98 (2013)


Article DOI: 10.1016/j.bmc.2013.11.001
BindingDB Entry DOI: 10.7270/Q2H41SXN
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50448464
PNG
(CHEMBL3126376)
Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(H,27,28)
PDB
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRalpha1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay


Bioorg Med Chem 22: 488-98 (2013)


Article DOI: 10.1016/j.bmc.2013.11.001
BindingDB Entry DOI: 10.7270/Q2H41SXN
More data for this
Ligand-Target Pair