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Compile Data Set for Download or QSAR

Found 843 hits with Last Name = 'erion' and Initial = 'md'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/s2
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0.220n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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0.240n/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 (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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0.320n/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 (crystal)
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/s2
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0.330n/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
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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0.370n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50036402
PNG
(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H21NO5/c1-10(2)15-9-14(5-6-16(15)21)25-17-11(3)7-13(8-12(17)4)20-18(22)19(23)24/h5-10,21H,1-4H3,(H,20,22)(H,23,24)
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0.470n/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))
BDBM50036402
PNG
(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H21NO5/c1-10(2)15-9-14(5-6-16(15)21)25-17-11(3)7-13(8-12(17)4)20-18(22)19(23)24/h5-10,21H,1-4H3,(H,20,22)(H,23,24)
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0.510n/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))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/s2
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0.550n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/s2
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0.680n/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 (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50274809
PNG
(3,5-Diiodo-4-(4'-hydroxy-3'-isopropylphenoxy)benzy...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(CP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O5P/c1-9(2)12-7-11(3-4-15(12)19)23-16-13(17)5-10(6-14(16)18)8-24(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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0.840n/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))
BDBM50274812
PNG
(CHEMBL457528 | [3,5-Diiodo-4-(4'-hydroxy-3'-isopro...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(OCP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O6P/c1-9(2)12-5-10(3-4-15(12)19)24-16-13(17)6-11(7-14(16)18)23-8-25(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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0.970n/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))
BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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1.09n/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
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50274846
PNG
(CHEMBL511862 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(NCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C16H18Br2NO5P/c1-9(2)12-7-11(3-4-15(12)20)24-16-13(17)5-10(6-14(16)18)19-8-25(21,22)23/h3-7,9,19-20H,8H2,1-2H3,(H2,21,22,23)
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1.51n/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))
BDBM50274809
PNG
(3,5-Diiodo-4-(4'-hydroxy-3'-isopropylphenoxy)benzy...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(CP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O5P/c1-9(2)12-7-11(3-4-15(12)19)23-16-13(17)5-10(6-14(16)18)8-24(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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1.84n/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
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096172
PNG
(1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12
Show InChI InChI=1/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)
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2n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


Article DOI: 10.1021/jm000355t
BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50242403
PNG
((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
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2.17n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50275295
PNG
(2-[3,5-Dibromo-4-(4'-hydroxy-3'-isopropylphenoxy)p...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H19Br2O5P/c1-10(2)13-9-12(3-4-16(13)20)24-17-14(18)7-11(8-15(17)19)5-6-25(21,22)23/h3-4,7-10,20H,5-6H2,1-2H3,(H2,21,22,23)
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2.5n/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 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 (TR-beta)


(Homo sapiens (Human))
BDBM50274811
PNG
(CHEMBL457527 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(OCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C16H17Br2O6P/c1-9(2)12-5-10(3-4-15(12)19)24-16-13(17)6-11(7-14(16)18)23-8-25(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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2.51n/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 (TR-beta)


(Homo sapiens (Human))
BDBM50242403
PNG
((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
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2.95n/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))
BDBM50274812
PNG
(CHEMBL457528 | [3,5-Diiodo-4-(4'-hydroxy-3'-isopro...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(OCP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O6P/c1-9(2)12-5-10(3-4-15(12)19)24-16-13(17)6-11(7-14(16)18)23-8-25(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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3.74n/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
Purine nucleoside phosphorylase


(Mus musculus)
BDBM50039549
PNG
(3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...)
Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC#N)c1cccc(Cl)c1
Show InChI InChI=1/C15H12ClN5O/c16-9-3-1-2-8(6-9)10(4-5-17)11-7-19-13-12(11)20-15(18)21-14(13)22/h1-3,6-7,10,19H,4H2,(H3,18,20,21,22)
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5n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Purine nucleoside Phosphorylase from calf spleen


J Med Chem 36: 3771-83 (1994)


Article DOI: 10.1021/jm00076a004
BindingDB Entry DOI: 10.7270/Q23J3DKS
More data for this
Ligand-Target Pair
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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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


(Homo sapiens (Human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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7.18n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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7.79n/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
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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8.70n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4


J Med Chem 36: 3771-83 (1994)


Article DOI: 10.1021/jm00076a004
BindingDB Entry DOI: 10.7270/Q23J3DKS
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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8.70n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4


J Med Chem 36: 3771-83 (1994)


Article DOI: 10.1021/jm00076a004
BindingDB Entry DOI: 10.7270/Q23J3DKS
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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8.70n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against hydrophobic pocket of Purine nucleoside Phosphorylase


J Med Chem 36: 3771-83 (1994)


Article DOI: 10.1021/jm00076a004
BindingDB Entry DOI: 10.7270/Q23J3DKS
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096166
PNG
(1-Benzyloxy-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(OCc2ccccc2)c2CCCCc12
Show InChI InChI=1/C26H28N4O4/c31-22-13-27-15-28-25-23(22)29-16-30(25)11-10-18-12-21(26(32)33)24(20-9-5-4-8-19(18)20)34-14-17-6-2-1-3-7-17/h1-3,6-7,12,15-16,22,31H,4-5,8-11,13-14H2,(H,27,28)(H,32,33)
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9n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


Article DOI: 10.1021/jm000355t
BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50275291
PNG
(CHEMBL485758 | [4-(4'-Hydroxy-3'-isopropylbenzyl)-...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(NCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H26NO4P/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)20-11-25(22,23)24/h5-9,12,20-21H,10-11H2,1-4H3,(H2,22,23,24)
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9.10n/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 (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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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))
BDBM50274846
PNG
(CHEMBL511862 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(NCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C16H18Br2NO5P/c1-9(2)12-7-11(3-4-15(12)20)24-16-13(17)5-10(6-14(16)18)19-8-25(21,22)23/h3-7,9,19-20H,8H2,1-2H3,(H2,21,22,23)
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10.3n/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
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046234
PNG
(2-Amino-7-benzyl-3,4a,5,7a-tetrahydro-pyrrolo[3,2-...)
Show SMILES Nc1nc2C(Cc3ccccc3)CNc2c(=O)[nH]1
Show InChI InChI=1/C13H14N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,9,15H,6-7H2,(H3,14,16,17,18)
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12n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


Article DOI: 10.1021/jm00053a008
BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
BDBM50046239
PNG
(2-Amino-9-thiophen-3-ylmethyl-1,9-dihydro-purin-6-...)
Show SMILES Nc1nc2C(Cc3ccsc3)CNc2c(=O)[nH]1
Show InChI InChI=1/C11H12N4OS/c12-11-14-8-7(3-6-1-2-17-5-6)4-13-9(8)10(16)15-11/h1-2,5,7,13H,3-4H2,(H3,12,14,15,16)
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15n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


Article DOI: 10.1021/jm00053a008
BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096165
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(O)=O
Show InChI InChI=1/C19H22N4O3/c24-16-9-20-10-21-18-17(16)22-11-23(18)6-5-13-8-14(19(25)26)7-12-3-1-2-4-15(12)13/h7-8,10-11,16,24H,1-6,9H2,(H,20,21)(H,25,26)
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15n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


Article DOI: 10.1021/jm000355t
BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50275294
PNG
(CHEMBL519721 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C16H17Br2O5P/c1-9(2)12-7-11(3-4-15(12)19)23-16-13(17)5-10(6-14(16)18)8-24(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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15.5n/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 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))
BDBM50274810
PNG
(3,5-Diiodo-4-(4'-hydroxy-3'-iodophenoxy)benzylphos...)
Show SMILES Oc1ccc(Oc2c(I)cc(CP(O)(O)=O)cc2I)cc1I
Show InChI InChI=1S/C13H10I3O5P/c14-9-5-8(1-2-12(9)17)21-13-10(15)3-7(4-11(13)16)6-22(18,19)20/h1-5,17H,6H2,(H2,18,19,20)
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16n/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))
BDBM50274811
PNG
(CHEMBL457527 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(OCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C16H17Br2O6P/c1-9(2)12-5-10(3-4-15(12)19)24-16-13(17)6-11(7-14(16)18)23-8-25(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
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18.6n/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
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096169
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2ccccc12)C(O)=O
Show InChI InChI=1/C19H18N4O3/c24-16-9-20-10-21-18-17(16)22-11-23(18)6-5-13-8-14(19(25)26)7-12-3-1-2-4-15(12)13/h1-4,7-8,10-11,16,24H,5-6,9H2,(H,20,21)(H,25,26)
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20n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


Article DOI: 10.1021/jm000355t
BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50274813
PNG
(CHEMBL457529 | [3,5-Dimethyl-4-(4'-hydroxy-3'-isop...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C18H23O6P/c1-11(2)16-9-14(5-6-17(16)19)24-18-12(3)7-15(8-13(18)4)23-10-25(20,21)22/h5-9,11,19H,10H2,1-4H3,(H2,20,21,22)
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25.4n/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 (TR-beta)


(Homo sapiens (Human))
BDBM50274810
PNG
(3,5-Diiodo-4-(4'-hydroxy-3'-iodophenoxy)benzylphos...)
Show SMILES Oc1ccc(Oc2c(I)cc(CP(O)(O)=O)cc2I)cc1I
Show InChI InChI=1S/C13H10I3O5P/c14-9-5-8(1-2-12(9)17)21-13-10(15)3-7(4-11(13)16)6-22(18,19)20/h1-5,17H,6H2,(H2,18,19,20)
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26n/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))
BDBM50275291
PNG
(CHEMBL485758 | [4-(4'-Hydroxy-3'-isopropylbenzyl)-...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(NCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H26NO4P/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)20-11-25(22,23)24/h5-9,12,20-21H,10-11H2,1-4H3,(H2,22,23,24)
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28.4n/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
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087401
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(c1)C(F)(F)F)(C(O)=O)C(O)=O
Show InChI InChI=1/C21H23F3N4O5/c22-21(23,24)14-5-3-4-13(8-14)9-20(18(30)31,19(32)33)6-1-2-7-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-5,8,11-12,15,29H,1-2,6-7,9-10H2,(H,25,26)(H,30,31)(H,32,33)
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29n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096170
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COc1c2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O
Show InChI InChI=1/C20H24N4O4/c1-28-18-14-5-3-2-4-13(14)12(8-15(18)20(26)27)6-7-24-11-23-17-16(25)9-21-10-22-19(17)24/h8,10-11,16,25H,2-7,9H2,1H3,(H,21,22)(H,26,27)
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30n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


Article DOI: 10.1021/jm000355t
BindingDB Entry DOI: 10.7270/Q2BZ659R
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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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 (TR-beta)


(Homo sapiens (Human))
BDBM50274814
PNG
(CHEMBL516330 | [3,5-Dichloro-4-(4'-hydroxy-3'-isop...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NCP(O)(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C16H18Cl2NO5P/c1-9(2)12-7-11(3-4-15(12)20)24-16-13(17)5-10(6-14(16)18)19-8-25(21,22)23/h3-7,9,19-20H,8H2,1-2H3,(H2,21,22,23)
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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 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 (TR-beta)


(Homo sapiens (Human))
BDBM50275290
PNG
(2-[3,5-Dimethoxy-4-(4'-hydroxy-3'-isopropylbenzyl)...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(CCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H27O4P/c1-13(2)18-11-16(5-6-20(18)21)12-19-14(3)9-17(10-15(19)4)7-8-25(22,23)24/h5-6,9-11,13,21H,7-8,12H2,1-4H3,(H2,22,23,24)
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31.3n/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))
BDBM50242403
PNG
((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
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35.2n/an/an/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay


Proc Natl Acad Sci U S A 104: 15490-5 (2007)


Article DOI: 10.1073/pnas.0702759104
BindingDB Entry DOI: 10.7270/Q2JW8DPH
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50242403
PNG
((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
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35.2n/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))
BDBM50275226
PNG
(CHEMBL505084 | N-[3,5-Dimethyl-4-(3'-isopropyl-4'-...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)P(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C18H22NO6P/c1-10(2)15-9-14(5-6-16(15)20)25-17-11(3)7-13(8-12(17)4)19-18(21)26(22,23)24/h5-10,20H,1-4H3,(H,19,21)(H2,22,23,24)
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36n/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
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087372
PNG
(2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COC(=O)c1cc(C)ccc1CCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1/C18H22N4O3/c1-12-5-6-13(14(8-12)18(24)25-2)4-3-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h5-6,8,10-11,15,23H,3-4,7,9H2,1-2H3,(H,19,20)
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40n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


Article DOI: 10.1021/jm990448e
BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
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