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PubMed code 19954984

Compile data set for download or QSAR
Found 8 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
Transthyretin


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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Article
PubMed
n/an/an/a 4.80E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for second l...


Bioorg Med Chem 18: 100-10 (2010)


Article DOI: 10.1016/j.bmc.2009.11.025
BindingDB Entry DOI: 10.7270/Q29P31RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50308731
PNG
(1-amino-5-naphthalene sulfonate | 5-aminonaphthale...)
Show SMILES Nc1cccc2c(cccc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
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Article
PubMed
n/an/an/a 6.40E+4n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by FRET analysis


Bioorg Med Chem 18: 100-10 (2010)


Article DOI: 10.1016/j.bmc.2009.11.025
BindingDB Entry DOI: 10.7270/Q29P31RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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PubMed
n/an/an/a 4.30E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by isothermal direct titrimetric assay


Bioorg Med Chem 18: 100-10 (2010)


Article DOI: 10.1016/j.bmc.2009.11.025
BindingDB Entry DOI: 10.7270/Q29P31RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by direct fluorescence titration method


Bioorg Med Chem 18: 100-10 (2010)


Article DOI: 10.1016/j.bmc.2009.11.025
BindingDB Entry DOI: 10.7270/Q29P31RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 1.10E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for first li...


Bioorg Med Chem 18: 100-10 (2010)


Article DOI: 10.1016/j.bmc.2009.11.025
BindingDB Entry DOI: 10.7270/Q29P31RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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Article
PubMed
n/an/an/a 4.80E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for second l...


Bioorg Med Chem 18: 100-10 (2010)


Article DOI: 10.1016/j.bmc.2009.11.025
BindingDB Entry DOI: 10.7270/Q29P31RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
PDB

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Article
PubMed
n/an/an/a 1.10E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for first li...


Bioorg Med Chem 18: 100-10 (2010)


Article DOI: 10.1016/j.bmc.2009.11.025
BindingDB Entry DOI: 10.7270/Q29P31RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

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MCE
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Article
PubMed
n/an/an/a 1.80E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by equilibrium dialysis


Bioorg Med Chem 18: 100-10 (2010)


Article DOI: 10.1016/j.bmc.2009.11.025
BindingDB Entry DOI: 10.7270/Q29P31RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%