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Patent code US10377729

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))
BDBM408979
PNG
(US10377729, Compound 2OH-PCB80)
Show SMILES [O-]c1c(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/p-2
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.59E+3n/an/an/an/an/an/a



BSIM Therapeutics, S.A.

US Patent


Assay Description
In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...


US Patent US10377729 (2019)


BindingDB Entry DOI: 10.7270/Q2WM1GSC
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM408976
PNG
(US10377729, Compound AT09-B00)
Show SMILES Cc1c(\C=C\c2occc2Cl)occ1C([O-])=O
Show InChI InChI=1S/C12H9ClO4/c1-7-8(12(14)15)6-17-10(7)2-3-11-9(13)4-5-16-11/h2-6H,1H3,(H,14,15)/p-1/b3-2+
PDB

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US Patent
n/an/a 2.02E+3n/an/an/an/an/an/a



BSIM Therapeutics, S.A.

US Patent


Assay Description
In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...


US Patent US10377729 (2019)


BindingDB Entry DOI: 10.7270/Q2WM1GSC
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM408980
PNG
(Thyroxine | US10377729, T4)
Show SMILES [NH3+][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
PDB

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US Patent
n/an/a 2.20E+3n/an/an/an/an/an/a



BSIM Therapeutics, S.A.

US Patent


Assay Description
In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...


US Patent US10377729 (2019)


BindingDB Entry DOI: 10.7270/Q2WM1GSC
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM408977
PNG
(US10377729, Compound AT09-B06)
Show SMILES Cc1oc(\C=C\c2occc2Cl)cc1C([O-])=O
Show InChI InChI=1S/C12H9ClO4/c1-7-9(12(14)15)6-8(17-7)2-3-11-10(13)4-5-16-11/h2-6H,1H3,(H,14,15)/p-1/b3-2+
PDB

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US Patent
n/an/a 2.49E+3n/an/an/an/an/an/a



BSIM Therapeutics, S.A.

US Patent


Assay Description
In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...


US Patent US10377729 (2019)


BindingDB Entry DOI: 10.7270/Q2WM1GSC
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | TAFAMIDIS | Tafamidis | US...)
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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Similars

PDB
US Patent
n/an/a 3.10E+3n/an/an/an/an/an/a



BSIM Therapeutics, S.A.

US Patent


Assay Description
In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...


US Patent US10377729 (2019)


BindingDB Entry DOI: 10.7270/Q2WM1GSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%