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BDBM50375347 CHEMBL264410

SMILES: COc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O

InChI Key: InChIKey=ZBRXDMONGVUIEW-UHFFFAOYSA-N

Data: 2 Kd  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50375347   
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 alpha


(Homo sapiens (Human))
BDBM50375347
PNG
(CHEMBL264410)
Show SMILES COc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C17H14I2N2O5/c1-25-14-7-9(2-3-13(14)22)26-15-10(18)4-8(5-11(15)19)6-12-16(23)21-17(24)20-12/h2-5,7,22-23H,6H2,1H3,(H2,20,21,24)
PDB
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Article
PubMed
n/an/an/a 82n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50375347
PNG
(CHEMBL264410)
Show SMILES COc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C17H14I2N2O5/c1-25-14-7-9(2-3-13(14)22)26-15-10(18)4-8(5-11(15)19)6-12-16(23)21-17(24)20-12/h2-5,7,22-23H,6H2,1H3,(H2,20,21,24)
PDB
MMDB

NCI pathway
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/an/a 119n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRbeta receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50375347
PNG
(CHEMBL264410)
Show SMILES COc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C17H14I2N2O5/c1-25-14-7-9(2-3-13(14)22)26-15-10(18)4-8(5-11(15)19)6-12-16(23)21-17(24)20-12/h2-5,7,22-23H,6H2,1H3,(H2,20,21,24)
PDB
MMDB

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KEGG

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UniChem

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Article
PubMed
n/an/an/an/a 8.00E+3n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50375347
PNG
(CHEMBL264410)
Show SMILES COc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C17H14I2N2O5/c1-25-14-7-9(2-3-13(14)22)26-15-10(18)4-8(5-11(15)19)6-12-16(23)21-17(24)20-12/h2-5,7,22-23H,6H2,1H3,(H2,20,21,24)
PDB
MMDB

NCI pathway
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Article
PubMed
n/an/an/an/a 42n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50375347
PNG
(CHEMBL264410)
Show SMILES COc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C17H14I2N2O5/c1-25-14-7-9(2-3-13(14)22)26-15-10(18)4-8(5-11(15)19)6-12-16(23)21-17(24)20-12/h2-5,7,22-23H,6H2,1H3,(H2,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 265n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50375347
PNG
(CHEMBL264410)
Show SMILES COc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
Show InChI InChI=1S/C17H14I2N2O5/c1-25-14-7-9(2-3-13(14)22)26-15-10(18)4-8(5-11(15)19)6-12-16(23)21-17(24)20-12/h2-5,7,22-23H,6H2,1H3,(H2,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 870n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair