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PubMed code 32124607

Compile data set for download or QSAR
Found 5 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))
BDBM50527390
PNG
(CHEMBL1232738)
Show SMILES OC(=O)c1cc(cc(I)c1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19)
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 320n/an/an/an/an/a



Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)

Curated by ChEMBL


Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...


J Med Chem 63: 3205-3214 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0
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)
PDB

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antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 2.80E+3n/an/an/an/an/a



Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)

Curated by ChEMBL


Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...


J Med Chem 63: 3205-3214 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50527390
PNG
(CHEMBL1232738)
Show SMILES OC(=O)c1cc(cc(I)c1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 810n/an/an/an/an/a



Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)

Curated by ChEMBL


Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...


J Med Chem 63: 3205-3214 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0
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)
PDB

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CHEMBL
DrugBank
MCE
KEGG
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PC cid
PC sid
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PDB
Article
PubMed
n/an/an/a 2.70E+3n/an/an/an/an/a



Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)

Curated by ChEMBL


Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...


J Med Chem 63: 3205-3214 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 1.05E+3n/an/an/an/an/a



Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)

Curated by ChEMBL


Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...


J Med Chem 63: 3205-3214 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%