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Compile Data Set for Download or QSAR

Found 100 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


(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


(Homo sapiens (Human))		BDBM92467
PNG
(2-Thioxanthine, TX2)
Show SMILES Fc1ccc(Cn2c3nc[nH]c3c(=O)[nH]c2=S)cc1
Show InChI InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19)
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n/an/a 590n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567713
PNG
(CHEMBL4859908)
Show SMILES Nc1cc(Cc2ccn(n2)-c2ccccc2)c2nn[nH]c2n1
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TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567712
PNG
(CHEMBL4869433)
Show SMILES Nc1cc(Cc2ccn(n2)-c2ccc(F)cc2)c2nn[nH]c2n1
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TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567715
PNG
(CHEMBL4855931)
Show SMILES Nc1cc(Cc2ccn(n2)-c2cccc(c2)-c2ccccc2)c2nn[nH]c2n1
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TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50595667
PNG
(CHEMBL5181350)
Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
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n/an/a 770n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |r,$;;;;;;;;;;;;;;;HN;;;;;;$|
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 890n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50133595
PNG
(CHEMBL3633460)
Show SMILES COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
Show InChI InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
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n/an/a 990n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567722
PNG
(CHEMBL4862053)
Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)c2nn[nH]c2n1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567718
PNG
(CHEMBL4863015)
Show SMILES Nc1cc(Cc2ccn(Cc3cccc(c3)-c3ccccc3)n2)c2nn[nH]c2n1
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TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567717
PNG
(CHEMBL4853722)
Show SMILES Nc1cc(Cc2ccn(Cc3ccc4ccccc4c3)n2)c2nn[nH]c2n1
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TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |r,$;;;;;;;;;;;;;;;HN;;;;;;$|
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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50595666
PNG
(CHEMBL5200126)
Show SMILES CN[C@H](C)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r|
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |$;;;;;;;;;;;;;;HN;;;;;;$|
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 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50595661
PNG
(CHEMBL5197968)
Show SMILES NC(c1ccccc1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
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n/an/a 1.39E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50595663
PNG
(CHEMBL5175091)
Show SMILES CC(=O)NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50595660
PNG
(CHEMBL5185576)
Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CN2CCC2)c2cc[nH]c12
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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


(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


(Homo sapiens (Human))		BDBM50567723
PNG
(CHEMBL4860429)
Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Oc4cccc5CNCc45)c3)n2)c2nn[nH]c2n1
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567719
PNG
(CHEMBL4871587)
Show SMILES Nc1cc(Cc2ccn(Cc3ccc4cnccc4c3)n2)c2nn[nH]c2n1
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50595665
PNG
(CHEMBL5186129)
Show SMILES CNCc1ccc(Cl)cc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567721
PNG
(CHEMBL4878518)
Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)c2nn[nH]c2n1
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TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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


(Homo sapiens (Human))		BDBM50567714
PNG
(CHEMBL4855030)
Show SMILES Nc1cc(Cc2ccn(n2)-c2ccccn2)c2nn[nH]c2n1
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |$;HN;;;;;;;;;;;;;;HN;;;;;;$|
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 2.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM357629
PNG
(7-benzyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine ...)
Show SMILES Nc1cc(Cc2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
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n/an/a 2.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TPO (unknown origin) using 3-iodo tyrosine as substrate incubated for 10 mins

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567716
PNG
(CHEMBL4846080)
Show SMILES Nc1cc(Cc2ccn(Cc3ccccc3)n2)c2nn[nH]c2n1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM92469
PNG
(2-Thioxanthine, TX4)
Show SMILES O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc[nH]c12 |r|
Show InChI InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50133597
PNG
(CHEBI:8502 | Propacil | Propylthiouracil | Prothyr...)
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


(Homo sapiens (Human))		BDBM50595662
PNG
(CHEMBL5197383)
Show SMILES CC(C)(C)CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50507390
PNG
(CHEMBL4482878 | US10981879, Example 3)
Show SMILES Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TPO assessed as reduction in H2O2 catalyzed 3,5-iodo tyrosine formation from 3-iodotyrosine and potassium iodide preincubated for...

ACS Med Chem Lett 9: 1175-1180 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00308
BindingDB Entry DOI: 10.7270/Q2W0997Z
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50595659
PNG
(CHEMBL5181827)
Show SMILES CC(C)NCc1ccccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S
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n/an/a 4.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50595664
PNG
(CHEMBL5207346)
Show SMILES CNCc1c(Cl)cccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
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n/an/a 4.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |r,$;;;;;;;;;;;;;;;HN;;;;;;$|
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 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)


BindingDB Entry DOI: 10.7270/Q2Q24296
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |r,$;;;;;;;;;;;;;;;HN;;;;;;$|
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 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)


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


(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 |r,$;;;;;;;;;;;;;;;HN;;;;;;$|
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 4.30E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...

US Patent US11000525 (2021)


BindingDB Entry DOI: 10.7270/Q2QJ7MD4
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |r,$;;;;;;;;;;;;;;;;HN;;;;;;$|
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
Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...

US Patent US11000525 (2021)


BindingDB Entry DOI: 10.7270/Q2QJ7MD4
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |r,$;;;;;;;;;;;;;;;;HN;;;;;;$|
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


(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 |r,$;;;;;;;;;;;;;;;;HN;;;;;;$|
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
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)


BindingDB Entry DOI: 10.7270/Q2Q24296
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50543850
PNG
(CHEMBL4645343)
Show SMILES CN(C)Cc1ccc(cc1)-n1cc(-c2ccc3cc[nH]c3c2)c2c(Cl)ccnc12
Show InChI InChI=1S/C24H21ClN4/c1-28(2)14-16-3-7-19(8-4-16)29-15-20(23-21(25)10-12-27-24(23)29)18-6-5-17-9-11-26-22(17)13-18/h3-13,15,26H,14H2,1-2H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of thyroid peroxidase (unknown origin)

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115548
BindingDB Entry DOI: 10.7270/Q2668HRN
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50543852
PNG
(CHEMBL4633000)
Show SMILES FC(F)(F)c1nn(cc1-c1ccc2cc[nH]c2c1)-c1ccc(Cc2nc[nH]n2)cc1
Show InChI InChI=1S/C21H15F3N6/c22-21(23,24)20-17(15-4-3-14-7-8-25-18(14)10-15)11-30(29-20)16-5-1-13(2-6-16)9-19-26-12-27-28-19/h1-8,10-12,25H,9H2,(H,26,27,28)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of thyroid peroxidase (unknown origin)

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115548
BindingDB Entry DOI: 10.7270/Q2668HRN
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50554044
PNG
(CHEMBL4792720)
Show SMILES Nc1cc([C@H](CCOCc2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
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n/an/a 6.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TPO (unknown origin) using 3-iodo tyrosine as substrate incubated for 10 mins

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829
More data for this
Ligand-Target Pair
Thyroid peroxidase


(Homo sapiens (Human))		BDBM50567720
PNG
(CHEMBL4855956)
Show SMILES Nc1cc(Cc2ccn(Cc3ccc4CNCCc4c3)n2)c2nn[nH]c2n1
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |$;;;HN;;;;;;;;;;;;;HN;;;;;;$|
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 8.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |$;;;;;;;;;;;;;;;HN;;;;;;$|
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 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)


BindingDB Entry DOI: 10.7270/Q2Q24296
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |$;;;;;;;;;;;;;;;HN;;;;;;$|
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 8.80E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...

US Patent US11000525 (2021)


BindingDB Entry DOI: 10.7270/Q2QJ7MD4
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |$;;;;;;;;;;;;;;;HN;;;;;;$|
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 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)


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


(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 |$;HN;;;;;;;;;;;;;;;HN;;;;;;$|
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
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)


BindingDB Entry DOI: 10.7270/Q2Q24296
More data for this
Ligand-Target Pair
Thyroid peroxidase


(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 |$;HN;;;;;;;;;;;;;;;HN;;;;;;$|
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
Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...

US Patent US11000525 (2021)


BindingDB Entry DOI: 10.7270/Q2QJ7MD4
More data for this
Ligand-Target Pair
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