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PubMed code 15857115

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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 (TR-beta)


(Homo sapiens (human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
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PubMed
n/an/a 190n/a 0.120n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18906
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9i | 3-[3...)
Show SMILES CCCCCCOc1c(Br)cc(CCC(O)=O)cc1Br
Show InChI InChI=1S/C15H20Br2O3/c1-2-3-4-5-8-20-15-12(16)9-11(10-13(15)17)6-7-14(18)19/h9-10H,2-8H2,1H3,(H,18,19)
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n/an/a 360n/a 1n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
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n/an/a 460n/a 0.530n/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18904
PNG
(2-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]acetic ...)
Show SMILES OC(=O)Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C15H18Br2O3/c16-12-6-11(8-14(18)19)7-13(17)15(12)20-9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19)
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n/an/a 770n/a 0.520n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18903
PNG
(2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid...)
Show SMILES CCC(CC)COc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C14H18Br2O3/c1-3-9(4-2)8-19-14-11(15)5-10(6-12(14)16)7-13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
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n/an/a 800n/a 0.700n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18907
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9j | 3-[3...)
Show SMILES CCC(CC)COc1c(Br)cc(CCC(O)=O)cc1Br
Show InChI InChI=1S/C15H20Br2O3/c1-3-10(4-2)9-20-15-12(16)7-11(8-13(15)17)5-6-14(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)
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n/an/a 810n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18906
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9i | 3-[3...)
Show SMILES CCCCCCOc1c(Br)cc(CCC(O)=O)cc1Br
Show InChI InChI=1S/C15H20Br2O3/c1-2-3-4-5-8-20-15-12(16)9-11(10-13(15)17)6-7-14(18)19/h9-10H,2-8H2,1H3,(H,18,19)
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n/an/a 1.10E+3n/a 0.600n/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18902
PNG
(2-[3,5-dibromo-4-(hexyloxy)phenyl]acetic acid | 3,...)
Show SMILES CCCCCCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C14H18Br2O3/c1-2-3-4-5-6-19-14-11(15)7-10(8-12(14)16)9-13(17)18/h7-8H,2-6,9H2,1H3,(H,17,18)
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n/an/a 1.50E+3n/a 0.800n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18907
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9j | 3-[3...)
Show SMILES CCC(CC)COc1c(Br)cc(CCC(O)=O)cc1Br
Show InChI InChI=1S/C15H20Br2O3/c1-3-10(4-2)9-20-15-12(16)7-11(8-13(15)17)5-6-14(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)
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n/an/a 1.60E+3n/an/an/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18901
PNG
(2-[3,5-dibromo-4-(3-methylbutoxy)phenyl]acetic aci...)
Show SMILES CC(C)CCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C13H16Br2O3/c1-8(2)3-4-18-13-10(14)5-9(6-11(13)15)7-12(16)17/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)
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n/an/a 1.80E+3n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18905
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9h | 3-[3...)
Show SMILES CC(C)CCOc1c(Br)cc(CCC(O)=O)cc1Br
Show InChI InChI=1S/C14H18Br2O3/c1-9(2)5-6-19-14-11(15)7-10(8-12(14)16)3-4-13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
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n/an/a 1.80E+3n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18899
PNG
(2-(3,5-dibromo-4-butoxyphenyl)acetic acid | 3,5-Di...)
Show SMILES CCCCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C12H14Br2O3/c1-2-3-4-17-12-9(13)5-8(6-10(12)14)7-11(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)
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n/an/a 1.90E+3n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18904
PNG
(2-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]acetic ...)
Show SMILES OC(=O)Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C15H18Br2O3/c16-12-6-11(8-14(18)19)7-13(17)15(12)20-9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19)
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n/an/a 2.70E+3n/a 0.420n/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18905
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9h | 3-[3...)
Show SMILES CC(C)CCOc1c(Br)cc(CCC(O)=O)cc1Br
Show InChI InChI=1S/C14H18Br2O3/c1-9(2)5-6-19-14-11(15)7-10(8-12(14)16)3-4-13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
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n/an/a 4.40E+3n/an/an/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18902
PNG
(2-[3,5-dibromo-4-(hexyloxy)phenyl]acetic acid | 3,...)
Show SMILES CCCCCCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C14H18Br2O3/c1-2-3-4-5-6-19-14-11(15)7-10(8-12(14)16)9-13(17)18/h7-8H,2-6,9H2,1H3,(H,17,18)
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n/an/a 5.20E+3n/a 0.700n/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18900
PNG
(2-[3,5-dibromo-4-(pentyloxy)phenyl]acetic acid | 3...)
Show SMILES CCCCCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C13H16Br2O3/c1-2-3-4-5-18-13-10(14)6-9(7-11(13)15)8-12(16)17/h6-7H,2-5,8H2,1H3,(H,16,17)
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n/an/a 5.70E+3n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18903
PNG
(2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid...)
Show SMILES CCC(CC)COc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C14H18Br2O3/c1-3-9(4-2)8-19-14-11(15)5-10(6-12(14)16)7-13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
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n/an/a 6.90E+3n/a 0.820n/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18901
PNG
(2-[3,5-dibromo-4-(3-methylbutoxy)phenyl]acetic aci...)
Show SMILES CC(C)CCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C13H16Br2O3/c1-8(2)3-4-18-13-10(14)5-9(6-11(13)15)7-12(16)17/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)
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n/an/a 1.30E+4n/an/an/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18900
PNG
(2-[3,5-dibromo-4-(pentyloxy)phenyl]acetic acid | 3...)
Show SMILES CCCCCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C13H16Br2O3/c1-2-3-4-5-18-13-10(14)6-9(7-11(13)15)8-12(16)17/h6-7H,2-5,8H2,1H3,(H,16,17)
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n/an/a 2.00E+4n/an/an/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18899
PNG
(2-(3,5-dibromo-4-butoxyphenyl)acetic acid | 3,5-Di...)
Show SMILES CCCCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C12H14Br2O3/c1-2-3-4-17-12-9(13)5-8(6-10(12)14)7-11(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)
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n/an/a 2.60E+4n/an/an/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18898
PNG
(2-(3,5-dibromo-4-ethoxyphenyl)acetic acid | 3,5-Di...)
Show SMILES CCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C10H10Br2O3/c1-2-15-10-7(11)3-6(4-8(10)12)5-9(13)14/h3-4H,2,5H2,1H3,(H,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18898
PNG
(2-(3,5-dibromo-4-ethoxyphenyl)acetic acid | 3,5-Di...)
Show SMILES CCOc1c(Br)cc(CC(O)=O)cc1Br
Show InChI InChI=1S/C10H10Br2O3/c1-2-15-10-7(11)3-6(4-8(10)12)5-9(13)14/h3-4H,2,5H2,1H3,(H,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+5n/an/an/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%