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Compile Data Set for Download or QSAR

Found 35 hits of ic50 for UniProtKB: P07202   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM217355
PNG
(4-benzyl-2-hydroxybenzenecarbohydroxamic acid (HX2...)
Show SMILES ONC(=O)c1ccc(Cc2ccccc2)cc1O
Show InChI InChI=1S/C14H13NO3/c16-13-9-11(6-7-12(13)14(17)15-18)8-10-4-2-1-3-5-10/h1-7,9,16,18H,8H2,(H,15,17)
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n/an/a 63n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari ...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM217354
PNG
(2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...)
Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O
Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari ...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM217356
PNG
(2-(benzylamino)-6-oxo-3H-pyrimidine-5-carbohydroxa...)
Show SMILES ONC(=O)c1c[nH]c(NCc2ccccc2)nc1=O
Show InChI InChI=1S/C12H12N4O3/c17-10-9(11(18)16-19)7-14-12(15-10)13-6-8-4-2-1-3-5-8/h1-5,7,19H,6H2,(H,16,18)(H2,13,14,15,17)
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari ...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM50015089
PNG
(2,N-Dihydroxy-benzamide | CHEMBL309339 | N,2-dihyd...)
Show SMILES ONC(=O)c1ccccc1O
Show InChI InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari ...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
Thyroid peroxidase (TPO)


(Homo sapiens (Human))
BDBM50133597
PNG
(CHEBI:8502 | PROPYLTHIOURACIL | Propacil | Propylt...)
Show SMILES CCCc1cc(=O)[nH]c(=S)[nH]1
Show InChI InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
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n/an/a 3.38E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of TPO (unknown origin) using Amplex Red as substrate assessed as formation of resorufin measured every 20 secs by spectrophotometric anal...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
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=1/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-/s2
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n/an/a 4.30E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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=1/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-/s2
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n/an/a 4.30E+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)

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=1/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-/s2
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n/an/a 4.40E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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=1/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-/s2
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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)

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=1/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 8.80E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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=1/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 8.80E+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)

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=1/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)

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=1/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
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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)

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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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)

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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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)

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)

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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n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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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n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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)

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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US Patent
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)

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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UniChem
Article
US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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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Article
US Patent
n/an/a 1.90E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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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US Patent
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)

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
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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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US Patent
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)

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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US Patent
n/an/a 3.80E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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)

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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US Patent
n/an/a 4.60E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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)

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=1/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-/s2
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US Patent
n/an/a 6.80E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...


US Patent US9616063 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.027
BindingDB Entry DOI: 10.7270/Q2Q24296
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=1/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-/s2
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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)

More data for this
Ligand-Target Pair