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Compile Data Set for Download or QSAR

Found 124 hits of kd for UniProtKB: P02766   
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
Transthyretin


(Homo sapiens (Human))
BDBM50225226
PNG
(4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid | CH...)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C14H10Cl2O4/c1-19-13-6-8(14(17)18)2-4-12(13)20-11-5-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,18)
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n/an/an/a 0.200n/an/an/a4.4n/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin at pH 4.4


J Med Chem 50: 5589-99 (2007)


Article DOI: 10.1021/jm0700159
BindingDB Entry DOI: 10.7270/Q2PG1RGD
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50225216
PNG
(2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol | ...)
Show SMILES OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C13H10Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,16-17H,7H2
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n/an/an/a 0.300n/an/an/a4.4n/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin at pH 4.4


J Med Chem 50: 5589-99 (2007)


Article DOI: 10.1021/jm0700159
BindingDB Entry DOI: 10.7270/Q2PG1RGD
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)
Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
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n/an/an/a 3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild type TTR (unknown origin) assessed as Kd1 by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00934
BindingDB Entry DOI: 10.7270/Q2CN77M6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50197882
PNG
(CHEMBL3959466)
Show SMILES Cc1c(\C=C\c2ccc(Cl)o2)occ1C(O)=O
Show InChI InChI=1S/C12H9ClO4/c1-7-9(12(14)15)6-16-10(7)4-2-8-3-5-11(13)17-8/h2-6H,1H3,(H,14,15)/b4-2+
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n/an/an/a 3.5n/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as dissociation constants for first binding sit...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197881
PNG
(CHEMBL3890392)
Show SMILES Cc1oc(\C=C\c2ccc(Cl)o2)cc1C(O)=O
Show InChI InChI=1S/C12H9ClO4/c1-7-10(12(14)15)6-9(16-7)3-2-8-4-5-11(13)17-8/h2-6H,1H3,(H,14,15)/b3-2+
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n/an/an/a 3.90n/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as dissociation constants for first binding sit...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)
Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
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n/an/an/a 4.40n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin (unknown origin) by ITC method


J Med Chem 61: 7862-7876 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00817
BindingDB Entry DOI: 10.7270/Q2KP84SS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50197885
PNG
(CHEMBL3940890)
Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(ccc1F)C(O)=O
Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
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n/an/an/a 4.80n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin (unknown origin) by ITC method


J Med Chem 61: 7862-7876 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00817
BindingDB Entry DOI: 10.7270/Q2KP84SS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50197885
PNG
(CHEMBL3940890)
Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(ccc1F)C(O)=O
Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
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n/an/an/a 4.80n/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Binding affinity to human plasma wild type TTR assessed as dissociation constants for second binding site of TTR by isothermal titration calorimetric...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50225217
PNG
(5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol | C...)
Show SMILES Oc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2
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n/an/an/a 5.70n/an/an/a4.4n/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin at pH 4.4


J Med Chem 50: 5589-99 (2007)


Article DOI: 10.1021/jm0700159
BindingDB Entry DOI: 10.7270/Q2PG1RGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50609726
PNG
(CHEMBL5276223)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cc(Cl)cc(Cl)c1
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n/an/an/a 6n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50588575
PNG
(CHEMBL5203058)
Show SMILES Oc1cc(F)cc(c1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
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n/an/an/a 6.20n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01195
BindingDB Entry DOI: 10.7270/Q27D304V
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197885
PNG
(CHEMBL3940890)
Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(ccc1F)C(O)=O
Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
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n/an/an/a 7.30n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01423
BindingDB Entry DOI: 10.7270/Q2C251G9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)
Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
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n/an/an/a 9.30n/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as dissociation constants for first binding sit...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)
Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
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n/an/an/a 9.90n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01195
BindingDB Entry DOI: 10.7270/Q27D304V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50609724
PNG
(CHEMBL5268339)
Show SMILES Oc1cccc2OC(CC(=O)c12)c1cc(Cl)c(O)c(Cl)c1
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n/an/an/a 13n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50225224
PNG
(4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde | CH...)
Show SMILES Oc1cc(C=O)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H
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n/an/an/a 13.9n/an/an/a4.4n/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin at pH 4.4


J Med Chem 50: 5589-99 (2007)


Article DOI: 10.1021/jm0700159
BindingDB Entry DOI: 10.7270/Q2PG1RGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50609723
PNG
(CHEMBL5283388)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cc(Cl)c(O)c(Cl)c1
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n/an/an/a 16n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM576397
PNG
(7-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzothiazole...)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2ncsc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
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WIPO WO2022112919
n/an/an/a 17n/an/an/an/an/a


TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM576398
PNG
(4-(3,5-dimethyl-1 H-pyrazol-4-yl)-7- ethyl-1,3-ben...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc(C)c2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
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n/an/an/a 20n/an/an/an/an/a


TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50108877
PNG
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
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n/an/an/a 21n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin (unknown origin) by ITC method


J Med Chem 61: 7862-7876 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00817
BindingDB Entry DOI: 10.7270/Q2KP84SS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50609725
PNG
(CHEMBL5280970)
Show SMILES Oc1ccc2C(=O)CC(Oc2c1)c1cc(Cl)c(O)c(Cl)c1
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n/an/an/a 26n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50588574
PNG
(CHEMBL5172990)
Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1cc(F)cc(F)c1
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n/an/an/a 26n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01195
BindingDB Entry DOI: 10.7270/Q27D304V
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50225228
PNG
(3-hydroxy-4-phenoxybenzoic acid | CHEMBL241454)
Show SMILES OC(=O)c1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C13H10O4/c14-11-8-9(13(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8,14H,(H,15,16)
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n/an/an/a 27n/an/an/a4.4n/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin at pH 4.4


J Med Chem 50: 5589-99 (2007)


Article DOI: 10.1021/jm0700159
BindingDB Entry DOI: 10.7270/Q2PG1RGD
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM25406
PNG
(4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid | CH...)
Show SMILES OC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
Show InChI InChI=1S/C13H8Cl2O4/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6,16H,(H,17,18)
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n/an/an/a 27n/an/an/a4.4n/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin at pH 4.4


J Med Chem 50: 5589-99 (2007)


Article DOI: 10.1021/jm0700159
BindingDB Entry DOI: 10.7270/Q2PG1RGD
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM576410
PNG
(4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1,3-benz...)
Show SMILES Cc1n[nH]c(C)c1-c1cc(F)cc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-2.69,3.54,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
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TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM576403
PNG
(5-methyl-4-(7-methyl-1,3-benzothiazol-4-yl)-1H-pyr...)
Show SMILES Cc1[nH]nc(C#N)c1-c1ccc(C)c2scnc12 |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;2.13,2.02,;2.13,3.56,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
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TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM17636
PNG
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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TBA

Assay Description
Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00934
BindingDB Entry DOI: 10.7270/Q2CN77M6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50588571
PNG
(CHEMBL5172066)
Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccc(F)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01195
BindingDB Entry DOI: 10.7270/Q27D304V
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM576409
PNG
(4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-methoxy-1,3-ben...)
Show SMILES COc1cc(-c2c(C)n[nH]c2C)c2ncsc2c1 |(-4.16,4.01,;-2.69,3.54,;-2.37,2.03,;-.91,1.55,;-.59,.05,;.88,-.43,;2.13,.48,;2.13,2.02,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;-1.73,-.98,;-1.73,-2.52,;-3.19,-3,;-4.1,-1.75,;-3.19,-.51,;-3.51,1,)|
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TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50108877
PNG
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01195
BindingDB Entry DOI: 10.7270/Q27D304V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50108877
PNG
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01195
BindingDB Entry DOI: 10.7270/Q27D304V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM576396
PNG
(4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzothiazole...)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
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TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM576414
PNG
(7-(3,5-dimethyl-1 H-pyrazol-4-yl)[1,3]thiazolo[5,4...)
Show SMILES Cc1n[nH]c(C)c1-c1ccnc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
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TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50225229
PNG
(2-(5-mercapto-1,3,4-oxadiazol-2-yl)phenol | CHEMBL...)
Show SMILES Oc1ccccc1-c1nnc(S)o1
Show InChI InChI=1S/C8H6N2O2S/c11-6-4-2-1-3-5(6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
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n/an/an/a 42n/an/an/a4.4n/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin at pH 4.4


J Med Chem 50: 5589-99 (2007)


Article DOI: 10.1021/jm0700159
BindingDB Entry DOI: 10.7270/Q2PG1RGD
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM576399
PNG
(4-(3,5-dimethyl-1 H-pyrazol-4-yl)-7-(trifluoro eth...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc(c2scnc12)C(F)(F)F |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;-4.98,1.48,;-6.12,.44,;-5.3,2.98,;-4.66,-.03,)|
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TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM576400
PNG
(4-(3,5-dimethyl-1 H-pyrazol-4-yl)-1,3-benzothiazol...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc(C#N)c2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-6.44,1.95,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
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TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50108877
PNG
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
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n/an/an/a 56n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin V122I mutant (unknown origin) by ITC method


J Med Chem 61: 7862-7876 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00817
BindingDB Entry DOI: 10.7270/Q2KP84SS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM576408
PNG
(4-(3,5-dimethyl- 1H-pyrazol-4-yl)-6-methyl-1,3-ben...)
Show SMILES Cc1n[nH]c(C)c1-c1cc(C)cc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-2.69,3.54,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
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TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/an/a 60n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00934
BindingDB Entry DOI: 10.7270/Q2CN77M6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM36880
PNG
(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Show SMILES Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
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n/an/an/a 62n/an/an/an/an/a


TBA

Assay Description
Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00823
BindingDB Entry DOI: 10.7270/Q2X63RR5
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/an/a 70n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM383210
PNG
(US10278929, Compound 1 | US11337935, Compound 1)
Show SMILES OC(=O)c1ccc(cc1)-c1c(F)cccc1F
Show InChI InChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)12(10)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17)
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n/an/an/a 72.5n/an/an/an/an/a



IRBM/Merck



Assay Description
Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...


Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2H70J43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50601998
PNG
(CHEMBL5205181)
Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(OCCCCCCNCCOCCOCCN=[N+]=[N-])cc(c1)C(O)=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01423
BindingDB Entry DOI: 10.7270/Q2C251G9
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM576402
PNG
(4-(1,3-benzothiazol-4-yl)-5-methyl-1 H-pyrazole-3-...)
Show SMILES Cc1[nH]nc(C#N)c1-c1cccc2scnc12 |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;2.13,2.02,;2.13,3.56,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
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TBA

Assay Description
Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These exp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50240510
PNG
(CHEMBL898 | DIFLUNISAL)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
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n/an/an/a 75n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00934
BindingDB Entry DOI: 10.7270/Q2CN77M6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50588573
PNG
(CHEMBL5205412)
Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1cc(Cl)cc(Cl)c1
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n/an/an/a 85n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01195
BindingDB Entry DOI: 10.7270/Q27D304V
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50225219
PNG
(3-methoxy-4-phenoxybenzaldehyde | CHEMBL241453)
Show SMILES COc1cc(C=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C14H12O3/c1-16-14-9-11(10-15)7-8-13(14)17-12-5-3-2-4-6-12/h2-10H,1H3
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n/an/an/a 88n/an/an/a4.4n/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin at pH 4.4


J Med Chem 50: 5589-99 (2007)


Article DOI: 10.1021/jm0700159
BindingDB Entry DOI: 10.7270/Q2PG1RGD
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50459081
PNG
(CHEMBL4206443)
Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(ccc1I)C(O)=O
Show InChI InChI=1S/C15H17IN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
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n/an/an/a 90n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin (unknown origin) by ITC method


J Med Chem 61: 7862-7876 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00817
BindingDB Entry DOI: 10.7270/Q2KP84SS
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50108877
PNG
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
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n/an/an/a 95n/an/an/an/an/a


TBA

Assay Description
Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00823
BindingDB Entry DOI: 10.7270/Q2X63RR5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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n/an/an/a 100n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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