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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'mizuguchi' and Initial = 'm'   
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
Serine racemase


(Homo sapiens (Human))
BDBM50055467
PNG
(CHEBI:17576 | CHEMBL3317781)
Show SMILES N[C@@H]([C@@H](O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Bioorg Med Chem Lett 24: 3732-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.003
BindingDB Entry DOI: 10.7270/Q2PR7XNR
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens (Human))
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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3.30E+4n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Bioorg Med Chem Lett 24: 3732-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.003
BindingDB Entry DOI: 10.7270/Q2PR7XNR
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens (Human))
BDBM18133
PNG
(2-aminoacetic acid | CHEMBL773 | Glycine | [14C]Gl...)
Show SMILES NCC(O)=O
Show InChI InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
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3.66E+5n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Bioorg Med Chem Lett 24: 3732-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.003
BindingDB Entry DOI: 10.7270/Q2PR7XNR
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50152125
PNG
(CHEMBL3781316)
Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
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n/an/a 20n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...


Eur J Med Chem 167: 153-160 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.011
BindingDB Entry DOI: 10.7270/Q20005CM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50509698
PNG
(3-Isomangostin | CHEMBL464119)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3
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n/an/a 52n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...


Eur J Med Chem 167: 153-160 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.011
BindingDB Entry DOI: 10.7270/Q20005CM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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n/an/a 470n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...


Eur J Med Chem 167: 153-160 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.011
BindingDB Entry DOI: 10.7270/Q20005CM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Death-associated protein kinase 1


(Homo sapiens (Human))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Displacement of ANS from DAPK1 catalytic domain (1 to 285) (unknown origin) after 30 mins by fluorescence assay


J Med Chem 58: 7400-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00893
BindingDB Entry DOI: 10.7270/Q21838BM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50509700
PNG
(CHEMBL506229)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3ccc(-[#8])cc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C18H16O5/c1-9(2)3-5-11-13(20)8-15-16(17(11)21)18(22)12-7-10(19)4-6-14(12)23-15/h3-4,6-8,19-21H,5H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...


Eur J Med Chem 167: 153-160 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.011
BindingDB Entry DOI: 10.7270/Q20005CM
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50352564
PNG
(CHEMBL1825141)
Show SMILES C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...


Eur J Med Chem 167: 153-160 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.011
BindingDB Entry DOI: 10.7270/Q20005CM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50241453
PNG
(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...


Eur J Med Chem 167: 153-160 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.011
BindingDB Entry DOI: 10.7270/Q20005CM
More data for this
Ligand-Target Pair
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/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance m...


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))
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/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance m...


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)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50509699
PNG
(CHEMBL4440642)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]-[#6]C([#6])([#6])[#8])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...


Eur J Med Chem 167: 153-160 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.011
BindingDB Entry DOI: 10.7270/Q20005CM
More data for this
Ligand-Target Pair
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/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Stabilization of wild type TTR (unknown origin) expressed in Escherichia coli assessed as reduction in methanol-induced aggregation incubated for 60 ...


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))
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/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance m...


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))
BDBM58491
PNG
(5-[2,3-bis(chloranyl)phenoxy]-6-chloranyl-2-methyl...)
Show SMILES CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1
Show InChI InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance m...


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))
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/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance m...


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))
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/a 5.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM32018
PNG
(1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...)
Show SMILES CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O
Show InChI InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)
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n/an/a 5.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568451
PNG
(CHEMBL4850762)
Show SMILES Cc1cc(cc2c1oc1ccccc1c2=O)C(O)=O
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n/an/a 6.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
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/a 6.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50568449
PNG
(CHEMBL4851268)
Show SMILES OC(=O)c1cc(Cl)c2oc3ccccc3c(=O)c2c1
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568444
PNG
(CHEMBL4866842)
Show SMILES OC(=O)c1ccc2c(c1)oc1c(Cl)cccc1c2=O
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n/an/a 7.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Displacement of ANS from DAPK1 catalytic domain (1 to 285) (unknown origin) after 30 mins by fluorescence assay


J Med Chem 58: 7400-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00893
BindingDB Entry DOI: 10.7270/Q21838BM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50568450
PNG
(CHEMBL4855105)
Show SMILES OC(=O)c1cc(Cl)c2oc3c(Cl)cccc3c(=O)c2c1
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n/an/a 9.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568429
PNG
(CHEMBL4860573)
Show SMILES CC(=O)Oc1cccc2C(=O)c3cc(ccc3C(=O)c12)C(O)=O
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568442
PNG
(CHEMBL4859052)
Show SMILES OC(=O)c1ccc2c(c1)oc1ccc(Cl)cc1c2=O
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50530238
PNG
(1,4,7,10,13,16-Hexaoxacyclooctadecane | 1,4,7,10,1...)
Show SMILES C1COCCOCCOCCOCCOCCO1
Show InChI InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presen...


J Med Chem 62: 2076-2082 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01700
BindingDB Entry DOI: 10.7270/Q2FB56DV
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50241453
PNG
(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Death-associated protein kinase 1


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Displacement of ANS from DAPK1 catalytic domain (1 to 285) (unknown origin) after 30 mins by fluorescence assay


J Med Chem 58: 7400-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00893
BindingDB Entry DOI: 10.7270/Q21838BM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50530238
PNG
(1,4,7,10,13,16-Hexaoxacyclooctadecane | 1,4,7,10,1...)
Show SMILES C1COCCOCCOCCOCCOCCO1
Show InChI InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presen...


J Med Chem 62: 2076-2082 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01700
BindingDB Entry DOI: 10.7270/Q2FB56DV
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568441
PNG
(CHEMBL4857993)
Show SMILES OC(=O)c1ccc2c(c1)oc1cccc(Cl)c1c2=O
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568425
PNG
(CHEMBL4870376)
Show SMILES [Na;v0+].[#7]-c1c(-[#8])c(c(-[#8])c2-[#6](=O)-c3ccccc3-[#6](=O)-c12)S([#8-])(=O)=O
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens (Human))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of DAPK1 (unknown origin) using ZIPtide as substrate by fluorescence assay in presence of ATP, MgCl2


J Med Chem 58: 7400-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00893
BindingDB Entry DOI: 10.7270/Q21838BM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50568434
PNG
(CHEMBL4849950)
Show SMILES OC(=O)c1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1
PDB

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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568447
PNG
(CHEMBL4874413)
Show SMILES OC(=O)c1ccc2oc3ccc(Cl)cc3c(=O)c2c1
PDB

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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM32021
PNG
(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568427
PNG
(CHEMBL4864788)
Show SMILES Oc1ccc2C(=O)c3ccc(O)c(O)c3C(=O)c2c1
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
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/a 1.20E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presen...


J Med Chem 62: 2076-2082 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01700
BindingDB Entry DOI: 10.7270/Q2FB56DV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 1.20E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presen...


J Med Chem 62: 2076-2082 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01700
BindingDB Entry DOI: 10.7270/Q2FB56DV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM67454
PNG
(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568432
PNG
(CHEMBL4864022)
Show SMILES Cc1cc(cc2C(=O)c3ccccc3C(=O)c12)C(O)=O
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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568448
PNG
(CHEMBL4875739)
Show SMILES OC(=O)c1ccc2oc3cccc(Cl)c3c(=O)c2c1
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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568443
PNG
(CHEMBL4866802)
Show SMILES OC(=O)c1ccc2c(c1)oc1cc(Cl)ccc1c2=O
PDB

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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568445
PNG
(CHEMBL4868175)
Show SMILES OC(=O)c1ccc2oc3c(Cl)cccc3c(=O)c2c1
PDB

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UniProtKB/SwissProt

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UniChem
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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568440
PNG
(CHEMBL4861683)
Show SMILES OC(=O)c1ccc2c(c1)oc1ccccc1c2=O
PDB

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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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CHEMBL
MCE
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UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...


Eur J Med Chem 167: 153-160 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.011
BindingDB Entry DOI: 10.7270/Q20005CM
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50530238
PNG
(1,4,7,10,13,16-Hexaoxacyclooctadecane | 1,4,7,10,1...)
Show SMILES C1COCCOCCOCCOCCOCCO1
Show InChI InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
PDB

KEGG

UniProtKB/SwissProt

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MCE
PC cid
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UniChem
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 100 mM in pres...


J Med Chem 62: 2076-2082 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01700
BindingDB Entry DOI: 10.7270/Q2FB56DV
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50530238
PNG
(1,4,7,10,13,16-Hexaoxacyclooctadecane | 1,4,7,10,1...)
Show SMILES C1COCCOCCOCCOCCOCCO1
Show InChI InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
PDB

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UniProtKB/SwissProt

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PC cid
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UniChem
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 100 mM in pres...


J Med Chem 62: 2076-2082 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01700
BindingDB Entry DOI: 10.7270/Q2FB56DV
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50568433
PNG
(CHEMBL4876565)
Show SMILES OC(=O)c1ccc2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)c2c1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
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n/an/a 2.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116292
BindingDB Entry DOI: 10.7270/Q2222ZH0
More data for this
Ligand-Target Pair
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