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PubMed code 20081815

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transthyretin


(Homo sapiens (Human))
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+
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.96E+3n/an/an/an/a4.4n/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


(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+
PDB

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Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/a4.4n/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


(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+
PDB

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UniChem

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Article
PubMed
n/an/a 2.00E+3n/an/an/an/a4.4n/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


(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+
PDB

KEGG

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UniChem
Article
PubMed
n/an/a 2.26E+3n/an/an/an/a4.4n/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


(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+
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 3.07E+3n/an/an/an/a4.4n/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


(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+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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MMDB
PC cid
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PDB
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Similars

PDB
Article
PubMed
n/an/a 3.08E+3n/an/an/an/a4.4n/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)
* indicates data uncertainty>20%