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PubMed code 27541261

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))
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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Article
PubMed
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


(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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MCE
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Article
PubMed
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


(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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Article
PubMed
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
Transthyretin


(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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Article
PubMed
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


(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
PDB

KEGG

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PC cid
PC sid
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Article
PubMed
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


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
* indicates data uncertainty>20%