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2 similar compounds to monomer 50275256

Compile data set for download or QSAR
Wt: 336.3
BDBM50275227
Wt: 350.3
BDBM50275228

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50275227,50275228   
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 (TR-beta)


(Homo sapiens (Human))
BDBM50275228
PNG
(CHEMBL485928 | [3,5-Dimethyl-4-(3'-ethyl-4'-hydrox...)
Show SMILES CCc1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C18H23O5P/c1-4-15-9-14(5-6-18(15)19)10-17-12(2)7-16(8-13(17)3)23-11-24(20,21)22/h5-9,19H,4,10-11H2,1-3H3,(H2,20,21,22)
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Article
PubMed
9.72n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)


Article DOI: 10.1021/jm800824d
BindingDB Entry DOI: 10.7270/Q21V5DT5
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50275228
PNG
(CHEMBL485928 | [3,5-Dimethyl-4-(3'-ethyl-4'-hydrox...)
Show SMILES CCc1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C18H23O5P/c1-4-15-9-14(5-6-18(15)19)10-17-12(2)7-16(8-13(17)3)23-11-24(20,21)22/h5-9,19H,4,10-11H2,1-3H3,(H2,20,21,22)
PDB
MMDB

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UniChem

Patents


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Article
PubMed
61.6n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)


Article DOI: 10.1021/jm800824d
BindingDB Entry DOI: 10.7270/Q21V5DT5
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50275227
PNG
(CHEMBL485927 | [3,5-Dimethyl-4-(4'-hydroxy-3'-meth...)
Show SMILES Cc1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C17H21O5P/c1-11-7-15(22-10-23(19,20)21)8-12(2)16(11)9-14-4-5-17(18)13(3)6-14/h4-8,18H,9-10H2,1-3H3,(H2,19,20,21)
PDB
MMDB

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UniChem

Patents


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Article
PubMed
89.7n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)


Article DOI: 10.1021/jm800824d
BindingDB Entry DOI: 10.7270/Q21V5DT5
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50275227
PNG
(CHEMBL485927 | [3,5-Dimethyl-4-(4'-hydroxy-3'-meth...)
Show SMILES Cc1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C17H21O5P/c1-11-7-15(22-10-23(19,20)21)8-12(2)16(11)9-14-4-5-17(18)13(3)6-14/h4-8,18H,9-10H2,1-3H3,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
897n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay


J Med Chem 51: 7075-93 (2009)


Article DOI: 10.1021/jm800824d
BindingDB Entry DOI: 10.7270/Q21V5DT5
More data for this
Ligand-Target Pair