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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'finn' and Initial = 'pd'   
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 |r|
Show InChI InChI=1S/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-/m0/s1
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PubMed
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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0.370n/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))
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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))
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


(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))
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))
BDBM50242404
PNG
((4S)-4-(3-chlorophenyl)-2-[(3,5-dimethyl-4-(4-hydr...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cc2C)ccc1O |r|
Show InChI InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35?/m0/s1
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1.25E+4n/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 (TR-beta)


(Homo sapiens (Human))
BDBM50242404
PNG
((4S)-4-(3-chlorophenyl)-2-[(3,5-dimethyl-4-(4-hydr...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cc2C)ccc1O |r|
Show InChI InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35?/m0/s1
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1.46E+4n/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