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Patent code US10016430

Compile Data Set for Download or QSAR
Found 30 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
Myeloperoxidase


(Homo sapiens (Human))
BDBM312171
PNG
(1-[2-(1-Aminoethyl)-4-chlorobenzyl]-2-thioxo-1,2,3...)
Show SMILES CC(N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312172
PNG
(Alternative Preparation | US10016430, Example 3 | ...)
Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312157
PNG
(1-{2-[(1R)-1-Aminopropyl]-4-chlorobenzyl}-2-thioxo...)
Show SMILES CC[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C16H17ClN4OS/c1-2-12(18)11-7-10(17)4-3-9(11)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,12,19H,2,8,18H2,1H3,(H,20,22,23)/t12-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312256
PNG
(1-{2-[(Cyclobutylamino)methyl]benzyl}-2-thioxo-1,2...)
Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CNC2CCC2)c2cc[nH]c12
Show InChI InChI=1S/C18H20N4OS/c23-17-16-15(8-9-19-16)22(18(24)21-17)11-13-5-2-1-4-12(13)10-20-14-6-3-7-14/h1-2,4-5,8-9,14,19-20H,3,6-7,10-11H2,(H,21,23,24)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312245
PNG
(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)
Show SMILES CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C15H15ClN4OS/c1-17-7-10-6-11(16)3-2-9(10)8-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,17-18H,7-8H2,1H3,(H,19,21,22)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312257
PNG
(1-{2-[(Cyclopentylamino)methyl]benzyl}-2-thioxo-1,...)
Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CNC2CCCC2)c2cc[nH]c12
Show InChI InChI=1S/C19H22N4OS/c24-18-17-16(9-10-20-17)23(19(25)22-18)12-14-6-2-1-5-13(14)11-21-15-7-3-4-8-15/h1-2,5-6,9-10,15,20-21H,3-4,7-8,11-12H2,(H,22,24,25)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312244
PNG
(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Show SMILES NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C14H13ClN4OS/c15-10-2-1-8(9(5-10)6-16)7-19-11-3-4-17-12(11)13(20)18-14(19)21/h1-5,17H,6-7,16H2,(H,18,20,21)
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312176
PNG
(1-{4-Chloro-2-[1-(methylamino)ethyl]benzyl}-2-thio...)
Show SMILES CNC(C)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C16H17ClN4OS/c1-9(18-2)12-7-11(17)4-3-10(12)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,9,18-19H,8H2,1-2H3,(H,20,22,23)
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312243
PNG
(1-{4-Chloro-2-[(ethylamino)methyl]benzyl}-2-thioxo...)
Show SMILES CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C16H17ClN4OS/c1-2-18-8-11-7-12(17)4-3-10(11)9-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,18-19H,2,8-9H2,1H3,(H,20,22,23)
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312261
PNG
(1-{2-[(Propan-2-ylamino)methyl]benzyl}-2-thioxo-1,...)
Show SMILES CC(C)NCc1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C17H20N4OS/c1-11(2)19-9-12-5-3-4-6-13(12)10-21-14-7-8-18-15(14)16(22)20-17(21)23/h3-8,11,18-19H,9-10H2,1-2H3,(H,20,22,23)
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312251
PNG
(1-(2-{[(Cyclobutylmethyl)amino]methyl}benzyl)-2-th...)
Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CNCC2CCC2)c2cc[nH]c12
Show InChI InChI=1S/C19H22N4OS/c24-18-17-16(8-9-21-17)23(19(25)22-18)12-15-7-2-1-6-14(15)11-20-10-13-4-3-5-13/h1-2,6-9,13,20-21H,3-5,10-12H2,(H,22,24,25)
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312264
PNG
(1-[2-(Aminomethyl)-4-(trifluoromethyl)benzyl]-2-th...)
Show SMILES NCc1cc(ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4OS/c16-15(17,18)10-2-1-8(9(5-10)6-19)7-22-11-3-4-20-12(11)13(23)21-14(22)24/h1-5,20H,6-7,19H2,(H,21,23,24)
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AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312173
PNG
(1-{2-[(1S)-1-Aminoethyl]-4-chlorobenzyl}-2-thioxo-...)
Show SMILES C[C@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312265
PNG
(1-{2-[(Methylamino)methyl]-4-(trifluoromethyl)benz...)
Show SMILES CNCc1cc(ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4OS/c1-20-7-10-6-11(16(17,18)19)3-2-9(10)8-23-12-4-5-21-13(12)14(24)22-15(23)25/h2-6,20-21H,7-8H2,1H3,(H,22,24,25)
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AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM312258
PNG
(1-(2-{[(2-Methylpropyl)amino]methyl}benzyl)-2-thio...)
Show SMILES CC(C)CNCc1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C18H22N4OS/c1-12(2)9-19-10-13-5-3-4-6-14(13)11-22-15-7-8-20-16(15)17(23)21-18(22)24/h3-8,12,19-20H,9-11H2,1-2H3,(H,21,23,24)
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AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312172
PNG
(Alternative Preparation | US10016430, Example 3 | ...)
Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1
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AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312157
PNG
(1-{2-[(1R)-1-Aminopropyl]-4-chlorobenzyl}-2-thioxo...)
Show SMILES CC[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C16H17ClN4OS/c1-2-12(18)11-7-10(17)4-3-9(11)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,12,19H,2,8,18H2,1H3,(H,20,22,23)/t12-/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312171
PNG
(1-[2-(1-Aminoethyl)-4-chlorobenzyl]-2-thioxo-1,2,3...)
Show SMILES CC(N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)
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AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312176
PNG
(1-{4-Chloro-2-[1-(methylamino)ethyl]benzyl}-2-thio...)
Show SMILES CNC(C)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C16H17ClN4OS/c1-9(18-2)12-7-11(17)4-3-10(12)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,9,18-19H,8H2,1-2H3,(H,20,22,23)
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n/an/a 8.90E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312243
PNG
(1-{4-Chloro-2-[(ethylamino)methyl]benzyl}-2-thioxo...)
Show SMILES CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C16H17ClN4OS/c1-2-18-8-11-7-12(17)4-3-10(11)9-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,18-19H,2,8-9H2,1H3,(H,20,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312256
PNG
(1-{2-[(Cyclobutylamino)methyl]benzyl}-2-thioxo-1,2...)
Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CNC2CCC2)c2cc[nH]c12
Show InChI InChI=1S/C18H20N4OS/c23-17-16-15(8-9-19-16)22(18(24)21-17)11-13-5-2-1-4-12(13)10-20-14-6-3-7-14/h1-2,4-5,8-9,14,19-20H,3,6-7,10-11H2,(H,21,23,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312265
PNG
(1-{2-[(Methylamino)methyl]-4-(trifluoromethyl)benz...)
Show SMILES CNCc1cc(ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4OS/c1-20-7-10-6-11(16(17,18)19)3-2-9(10)8-23-12-4-5-21-13(12)14(24)22-15(23)25/h2-6,20-21H,7-8H2,1H3,(H,22,24,25)
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US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312244
PNG
(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Show SMILES NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C14H13ClN4OS/c15-10-2-1-8(9(5-10)6-16)7-19-11-3-4-17-12(11)13(20)18-14(19)21/h1-5,17H,6-7,16H2,(H,18,20,21)
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US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312245
PNG
(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)
Show SMILES CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C15H15ClN4OS/c1-17-7-10-6-11(16)3-2-9(10)8-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,17-18H,7-8H2,1H3,(H,19,21,22)
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US Patent
n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312251
PNG
(1-(2-{[(Cyclobutylmethyl)amino]methyl}benzyl)-2-th...)
Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CNCC2CCC2)c2cc[nH]c12
Show InChI InChI=1S/C19H22N4OS/c24-18-17-16(8-9-21-17)23(19(25)22-18)12-15-7-2-1-6-14(15)11-20-10-13-4-3-5-13/h1-2,6-9,13,20-21H,3-5,10-12H2,(H,22,24,25)
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n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312257
PNG
(1-{2-[(Cyclopentylamino)methyl]benzyl}-2-thioxo-1,...)
Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CNC2CCCC2)c2cc[nH]c12
Show InChI InChI=1S/C19H22N4OS/c24-18-17-16(9-10-20-17)23(19(25)22-18)12-14-6-2-1-5-13(14)11-21-15-7-3-4-8-15/h1-2,5-6,9-10,15,20-21H,3-4,7-8,11-12H2,(H,22,24,25)
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n/an/a 1.90E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312264
PNG
(1-[2-(Aminomethyl)-4-(trifluoromethyl)benzyl]-2-th...)
Show SMILES NCc1cc(ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4OS/c16-15(17,18)10-2-1-8(9(5-10)6-19)7-22-11-3-4-20-12(11)13(23)21-14(22)24/h1-5,20H,6-7,19H2,(H,21,23,24)
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n/an/a 2.80E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312261
PNG
(1-{2-[(Propan-2-ylamino)methyl]benzyl}-2-thioxo-1,...)
Show SMILES CC(C)NCc1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C17H20N4OS/c1-11(2)19-9-12-5-3-4-6-13(12)10-21-14-7-8-18-15(14)16(22)20-17(21)23/h3-8,11,18-19H,9-10H2,1-2H3,(H,20,22,23)
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n/an/a 3.80E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312258
PNG
(1-(2-{[(2-Methylpropyl)amino]methyl}benzyl)-2-thio...)
Show SMILES CC(C)CNCc1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C18H22N4OS/c1-12(2)9-19-10-13-5-3-4-6-14(13)11-22-15-7-8-20-16(15)17(23)21-18(22)24/h3-8,12,19-20H,9-11H2,1-2H3,(H,21,23,24)
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n/an/a 4.60E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM312173
PNG
(1-{2-[(1S)-1-Aminoethyl]-4-chlorobenzyl}-2-thioxo-...)
Show SMILES C[C@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m0/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...


US Patent US10016430 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7M2N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%