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3 similar compounds to monomer 50242403

Compile data set for download or QSAR
Wt: 336.3
BDBM50275227
Wt: 350.3
BDBM50275228
Wt: 378.3
BDBM50275257

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50275227,50275228,50275257   
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))
BDBM50275257
PNG
(CHEMBL448595 | [3,5-Dimethyl-4-(3'-sec-butyl-4'-hy...)
Show SMILES CCC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1/C20H27O5P/c1-5-13(2)19-11-16(6-7-20(19)21)10-18-14(3)8-17(9-15(18)4)25-12-26(22,23)24/h6-9,11,13,21H,5,10,12H2,1-4H3,(H2,22,23,24)
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Article
PubMed
6.64n/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
3D
3D Structure (docked)
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))
BDBM50275257
PNG
(CHEMBL448595 | [3,5-Dimethyl-4-(3'-sec-butyl-4'-hy...)
Show SMILES CCC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1/C20H27O5P/c1-5-13(2)19-11-16(6-7-20(19)21)10-18-14(3)8-17(9-15(18)4)25-12-26(22,23)24/h6-9,11,13,21H,5,10,12H2,1-4H3,(H2,22,23,24)
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Article
PubMed
30.5n/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


(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
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
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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

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UniChem

Patents


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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