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Compile Data Set for Download or QSAR

Found 162 hits of ic50 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
TTR


(Homo sapiens (Human))
BDBM138357
PNG
(US8877795, 6)
Show SMILES COc1ccc(\C=N\n2c(S)nnc2C(F)(F)F)cc1O
Show InChI InChI=1S/C11H9F3N4O2S/c1-20-8-3-2-6(4-7(8)19)5-15-18-9(11(12,13)14)16-17-10(18)21/h2-5,19H,1H3,(H,17,21)/b15-5+
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n/an/a 277n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM85507
PNG
(CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...)
Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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n/an/a 289n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM138358
PNG
(US8877795, 7)
Show SMILES Cc1n[nH]c(C)c1CCCOc1ccccc1F
Show InChI InChI=1S/C14H17FN2O/c1-10-12(11(2)17-16-10)6-5-9-18-14-8-4-3-7-13(14)15/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17)
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n/an/a 296n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM50308343
PNG
((Z)-5-(3,5-dibromo-4-methoxybenzylidene)thiazolidi...)
Show SMILES COc1c(Br)cc(\C=C2/SC(=O)NC2=O)cc1Br
Show InChI InChI=1S/C11H7Br2NO3S/c1-17-9-6(12)2-5(3-7(9)13)4-8-10(15)14-11(16)18-8/h2-4H,1H3,(H,14,15,16)/b8-4-
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n/an/a 301n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM138359
PNG
(US8877795, 9)
Show SMILES CCOc1ccccc1-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O2/c1-2-19-13-6-4-3-5-12(13)15-17-14(18-20-15)11-7-9-16-10-8-11/h3-10H,2H2,1H3
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n/an/a 329n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM138360
PNG
(US8877795, 10)
Show SMILES CC1(C)NC(=O)C(C#N)=C(SCc2ccccc2)S1
Show InChI InChI=1S/C14H14N2OS2/c1-14(2)16-12(17)11(8-15)13(19-14)18-9-10-6-4-3-5-7-10/h3-7H,9H2,1-2H3,(H,16,17)
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n/an/a 433n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(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/a 475n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation 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
TTR


(Homo sapiens (Human))
BDBM138361
PNG
(US8877795, Meclofenamic Acid)
Show SMILES Cc1ccc(O)c(Nc2ccccc2C(O)=O)c1Cl
Show InChI InChI=1S/C14H12ClNO3/c1-8-6-7-11(17)13(12(8)15)16-10-5-3-2-4-9(10)14(18)19/h2-7,16-17H,1H3,(H,18,19)
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n/an/a 504n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(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/a 520n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation 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)
TTR


(Homo sapiens (Human))
BDBM138362
PNG
(US8877795, 11)
Show SMILES O=C1C2C(Oc3[nH]c4ccccc4c3C2(C#N)C#N)c2ccccc12
Show InChI InChI=1S/C20H11N3O2/c21-9-20(10-22)15-13-7-3-4-8-14(13)23-19(15)25-18-12-6-2-1-5-11(12)17(24)16(18)20/h1-8,16,18,23H
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n/an/a 586n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 653n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM50017846
PNG
(3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...)
Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
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n/an/a 741n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM138363
PNG
(US8877795, Ro 41-0960)
Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F
Show InChI InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H
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n/an/a 755n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM138364
PNG
(US8877795, 12)
Show SMILES FC(F)(F)c1cccc(\C=C2/SC(=O)NC2=O)c1
Show InChI InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
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n/an/a 815n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM50334179
PNG
(5-(naphthalen-1-ylmethylene)thiazolidine-2,4-dione...)
Show SMILES O=C1NC(=O)\C(S1)=C\c1cccc2ccccc12
Show InChI InChI=1S/C14H9NO2S/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,16,17)/b12-8-
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n/an/a 842n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(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/a 850n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation 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)
TTR


(Homo sapiens (Human))
BDBM50225221
PNG
(2,3,6-trichloro-N-(4H-1,2,4-triazol-3-yl)benzamide...)
Show SMILES Clc1ccc(Cl)c(C(=O)Nc2nnc[nH]2)c1Cl
Show InChI InChI=1S/C9H5Cl3N4O/c10-4-1-2-5(11)7(12)6(4)8(17)15-9-13-3-14-16-9/h1-3H,(H2,13,14,15,16,17)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation 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
TTR


(Homo sapiens (Human))
BDBM138365
PNG
(US8877795, 14)
Show SMILES CN1C(=N)NC(=O)\C1=C\c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C11H9Br2N3O2/c1-16-8(10(18)15-11(16)14)4-5-2-6(12)9(17)7(13)3-5/h2-4,17H,1H3,(H2,14,15,18)/b8-4-
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n/an/a 1.15E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM138366
PNG
(US8877795, 15)
Show SMILES Cc1n[nH]c(C)c1CCc1nc2c3ccccc3[nH]c(=S)n2n1
Show InChI InChI=1S/C16H16N6S/c1-9-11(10(2)20-19-9)7-8-14-18-15-12-5-3-4-6-13(12)17-16(23)22(15)21-14/h3-6H,7-8H2,1-2H3,(H,17,23)(H,19,20)
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n/an/a 1.31E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(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/a 1.31E+3n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation 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
TTR


(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/a 1.36E+3n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation 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 (TTR)


(Homo sapiens (Human))
BDBM50206384
PNG
(CHEMBL3917629)
Show SMILES Cc1cc(\C=C\c2cc3ccc(O)cc3nc2Cl)cc(C)c1O
Show InChI InChI=1S/C19H16ClNO2/c1-11-7-13(8-12(2)18(11)23)3-4-15-9-14-5-6-16(22)10-17(14)21-19(15)20/h3-10,22-23H,1-2H3/b4-3+
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n/an/a 1.49E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
Transthyretin (TTR)


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | TAFAMIDIS | Tafamidis | Vy...)
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/a 1.55E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin (TTR)


(Homo sapiens (Human))
BDBM50410534
PNG
(CHEMBL83116)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
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n/an/a 1.59E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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 (TTR)


(Homo sapiens (Human))
BDBM50410534
PNG
(CHEMBL83116)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
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n/an/a 1.59E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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 (TTR)


(Homo sapiens (Human))
BDBM50206387
PNG
(CHEMBL3898378)
Show SMILES Cc1cc(cc(C)c1O)C#Cc1ccc2cc(N)ccc2n1
Show InChI InChI=1S/C19H16N2O/c1-12-9-14(10-13(2)19(12)22)3-6-17-7-4-15-11-16(20)5-8-18(15)21-17/h4-5,7-11,22H,20H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM50225218
PNG
(4-(chloromethyl)-2-methoxy-1-phenoxybenzene | CHEM...)
Show SMILES COc1cc(CCl)ccc1Oc1ccccc1
Show InChI InChI=1S/C14H13ClO2/c1-16-14-9-11(10-15)7-8-13(14)17-12-5-3-2-4-6-12/h2-9H,10H2,1H3
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n/an/a 1.94E+3n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation 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
TTR


(Homo sapiens (Human))
BDBM50323722
PNG
(4-fluorophenyl 3-(4-hydroxy-3,5-dimethylstyryl)ben...)
Show SMILES Cc1cc(\C=C\c2cccc(c2)C(=O)Oc2ccc(F)cc2)cc(C)c1O
Show InChI InChI=1S/C23H19FO3/c1-15-12-18(13-16(2)22(15)25)7-6-17-4-3-5-19(14-17)23(26)27-21-10-8-20(24)9-11-21/h3-14,25H,1-2H3/b7-6+
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n/an/a 1.96E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR amyloidogenesis assessed as inhibition of fibril formation after 72 hrs at pH 4.4 by spectrophotometry relative to untrea...


Nat Chem Biol 6: 133-9 (2010)


Article DOI: 10.1038/nchembio.281
BindingDB Entry DOI: 10.7270/Q2QF8T2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM50323724
PNG
(CHEMBL1213660 | S-phenyl 3-(4-hydroxy-3,5-dimethyl...)
Show SMILES Cc1cc(\C=C\c2cccc(c2)C(=O)Sc2ccccc2)cc(C)c1O
Show InChI InChI=1S/C23H20O2S/c1-16-13-19(14-17(2)22(16)24)12-11-18-7-6-8-20(15-18)23(25)26-21-9-4-3-5-10-21/h3-15,24H,1-2H3/b12-11+
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR amyloidogenesis assessed as inhibition of fibril formation after 72 hrs at pH 4.4 by spectrophotometry relative to untrea...


Nat Chem Biol 6: 133-9 (2010)


Article DOI: 10.1038/nchembio.281
BindingDB Entry DOI: 10.7270/Q2QF8T2G
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM50323725
PNG
(CHEMBL1213659 | S-phenyl 3-(3,5-dibromo-4-hydroxys...)
Show SMILES Oc1c(Br)cc(\C=C\c2cccc(c2)C(=O)Sc2ccccc2)cc1Br
Show InChI InChI=1S/C21H14Br2O2S/c22-18-12-15(13-19(23)20(18)24)10-9-14-5-4-6-16(11-14)21(25)26-17-7-2-1-3-8-17/h1-13,24H/b10-9+
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR amyloidogenesis assessed as inhibition of fibril formation after 72 hrs at pH 4.4 by spectrophotometry relative to untrea...


Nat Chem Biol 6: 133-9 (2010)


Article DOI: 10.1038/nchembio.281
BindingDB Entry DOI: 10.7270/Q2QF8T2G
More data for this
Ligand-Target Pair
Transthyretin (TTR)


(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/a 2.02E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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 (TTR)


(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/a 2.04E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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 (TTR)


(Homo sapiens (Human))
BDBM50206385
PNG
(CHEMBL3976323)
Show SMILES Cc1cc(cc(C)c1O)C#Cc1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C19H14N2O3/c1-12-9-14(10-13(2)19(12)22)3-5-16-6-4-15-11-17(21(23)24)7-8-18(15)20-16/h4,6-11,22H,1-2H3
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n/an/a 2.06E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
Transthyretin (TTR)


(Homo sapiens (Human))
BDBM50206388
PNG
(CHEMBL3899454)
Show SMILES Cc1cc(cc(C)c1O)C#Cc1ccc2ccccc2n1
Show InChI InChI=1S/C19H15NO/c1-13-11-15(12-14(2)19(13)21)7-9-17-10-8-16-5-3-4-6-18(16)20-17/h3-6,8,10-12,21H,1-2H3
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n/an/a 2.18E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
Transthyretin (TTR)


(Homo sapiens (Human))
BDBM50301375
PNG
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
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n/an/a 2.19E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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 (TTR)


(Homo sapiens (Human))
BDBM50301375
PNG
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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)
TTR


(Homo sapiens (Human))
BDBM50323723
PNG
(2-nitrophenyl 3-(4-hydroxy-3,5-dimethylstyryl)benz...)
Show SMILES Cc1cc(\C=C\c2cccc(c2)C(=O)Oc2ccccc2[N+]([O-])=O)cc(C)c1O
Show InChI InChI=1S/C23H19NO5/c1-15-12-18(13-16(2)22(15)25)11-10-17-6-5-7-19(14-17)23(26)29-21-9-4-3-8-20(21)24(27)28/h3-14,25H,1-2H3/b11-10+
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n/an/a 2.26E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR amyloidogenesis assessed as inhibition of fibril formation after 72 hrs at pH 4.4 by spectrophotometry relative to untrea...


Nat Chem Biol 6: 133-9 (2010)


Article DOI: 10.1038/nchembio.281
BindingDB Entry DOI: 10.7270/Q2QF8T2G
More data for this
Ligand-Target Pair
Transthyretin (TTR)


(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/a 2.49E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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 (TTR)


(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/a 2.51E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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
TTR


(Homo sapiens (Human))
BDBM138367
PNG
(US8877795, 16)
Show SMILES OC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H6Cl2F3N3O2/c15-7-2-1-6(3-8(7)16)9-4-11(14(17,18)19)22-12(20-9)5-10(21-22)13(23)24/h1-5H,(H,23,24)
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US Patent
n/an/a 2.59E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin (TTR)


(Homo sapiens (Human))
BDBM50206386
PNG
(CHEMBL3987064)
Show SMILES Cc1cc(cc(C)c1O)C#Cc1ccc2cc(O)ccc2n1
Show InChI InChI=1S/C19H15NO2/c1-12-9-14(10-13(2)19(12)22)3-5-16-6-4-15-11-17(21)7-8-18(15)20-16/h4,6-11,21-22H,1-2H3
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n/an/a 2.59E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
TTR


(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/a 2.59E+3n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation 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
TTR


(Homo sapiens (Human))
BDBM138368
PNG
(US8877795, 17)
Show SMILES COc1ccccc1CC(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C15H14O4/c1-19-15-5-3-2-4-10(15)8-13(17)12-7-6-11(16)9-14(12)18/h2-7,9,16,18H,8H2,1H3
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n/an/a 2.66E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM50301372
PNG
((E/Z)-3-(4-nitrophenylimino)indolin-2-one | CHEMBL...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C14H9N3O3/c18-14-13(11-3-1-2-4-12(11)16-14)15-9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
TTR


(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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n/an/a 2.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human transthyretin fibril formation at pH 4.4 after 72 hrs


Proc Natl Acad Sci USA 104: 4808-13 (2007)


Article DOI: 10.1073/pnas.0700316104
BindingDB Entry DOI: 10.7270/Q2B27W52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM50012781
PNG
(3-(4-hydroxy-3,5-dimethylstyryl)benzoic acid | 3-[...)
Show SMILES Cc1cc(\C=C\c2cccc(c2)C(O)=O)cc(C)c1O
Show InChI InChI=1S/C17H16O3/c1-11-8-14(9-12(2)16(11)18)7-6-13-4-3-5-15(10-13)17(19)20/h3-10,18H,1-2H3,(H,19,20)/b7-6+
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n/an/a 3.07E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR amyloidogenesis assessed as inhibition of fibril formation after 72 hrs at pH 4.4 by spectrophotometry relative to untrea...


Nat Chem Biol 6: 133-9 (2010)


Article DOI: 10.1038/nchembio.281
BindingDB Entry DOI: 10.7270/Q2QF8T2G
More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM50012798
PNG
((E)-2,6-dimethyl-4-styrylphenol | 2,6-Dimethyl-4-s...)
Show SMILES Cc1cc(\C=C\c2ccccc2)cc(C)c1O
Show InChI InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+
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n/an/a 3.08E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR amyloidogenesis assessed as inhibition of fibril formation after 72 hrs at pH 4.4 by spectrophotometry relative to untrea...


Nat Chem Biol 6: 133-9 (2010)


Article DOI: 10.1038/nchembio.281
BindingDB Entry DOI: 10.7270/Q2QF8T2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin (TTR)


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | TAFAMIDIS | Tafamidis | Vy...)
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/a 3.09E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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)
TTR


(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/a 3.10E+3n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation 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 (TTR)


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | TAFAMIDIS | Tafamidis | Vy...)
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/a 3.10E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


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)
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