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Found 13 hits Enz. Inhib. hit(s) with Target = 'Lactoperoxidase'   
Target
(Institution)
LigandTarget
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
Lactoperoxidase (LPO)


(Bos taurus (Bovine))
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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PubMed
n/an/a 40n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase (LPO)


(Bos taurus (Bovine))
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 400n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactoperoxidase (LPO)


(Bos taurus (Bovine))
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 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 ...


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase (LPO)


(Bos taurus (Bovine))
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 6.30E+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 ...


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase


(Homo sapiens)
BDBM50275890
PNG
(CHEMBL457523 | ethyl 2,3-dihydro-3-methyl-2-seleno...)
Show SMILES CCOC(=O)n1ccn(C)[c]1=[Se]
Show InChI InChI=1S/C7H10N2O2Se/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase


(Homo sapiens)
BDBM50275889
PNG
(CHEMBL508102 | carbimazole)
Show SMILES CCOC(=O)n1ccn(C)c1=S
Show InChI InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase


(Homo sapiens)
BDBM50275891
PNG
(CHEMBL444464 | methyl 3-methyl-2-thioxo-2,3-dihydr...)
Show SMILES COC(=O)n1ccn(C)c1=S
Show InChI InChI=1S/C6H8N2O2S/c1-7-3-4-8(5(7)11)6(9)10-2/h3-4H,1-2H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase


(Homo sapiens)
BDBM50241361
PNG
(CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...)
Show SMILES Cn1cc[nH]c1=S
Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase


(Homo sapiens)
BDBM50275895
PNG
(CHEMBL469530 | methyl 3-ethyl-2-thioxo-2,3-dihydro...)
Show SMILES CCn1ccn(C(=O)OC)c1=S
Show InChI InChI=1S/C7H10N2O2S/c1-3-8-4-5-9(6(8)12)7(10)11-2/h4-5H,3H2,1-2H3
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n/an/a 1.96E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase


(Homo sapiens)
BDBM50275892
PNG
(CHEMBL507966 | methyl 3-methyl-2-selenoxo-2,3-dihy...)
Show SMILES COC(=O)n1ccn(C)[c]1=[Se]
Show InChI InChI=1S/C6H8N2O2Se/c1-7-3-4-8(5(7)11)6(9)10-2/h3-4H,1-2H3
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n/an/a 1.97E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase


(Homo sapiens)
BDBM50275893
PNG
(CHEMBL469529 | ethyl 3-ethyl-2-thioxo-2,3-dihydro-...)
Show SMILES CCOC(=O)n1ccn(CC)c1=S
Show InChI InChI=1S/C8H12N2O2S/c1-3-9-5-6-10(7(9)13)8(11)12-4-2/h5-6H,3-4H2,1-2H3
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n/an/a 2.05E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase


(Homo sapiens)
BDBM50275894
PNG
(CHEMBL446332 | ethyl 3-ethyl-2-selenoxo-2,3-dihydr...)
Show SMILES CCOC(=O)n1ccn(CC)[c]1=[Se]
Show InChI InChI=1S/C8H12N2O2Se/c1-3-9-5-6-10(7(9)13)8(11)12-4-2/h5-6H,3-4H2,1-2H3
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PubMed
n/an/a 2.13E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Lactoperoxidase


(Homo sapiens)
BDBM50275944
PNG
(CHEMBL459114 | methyl 3-ethyl-2-selenoxo-2,3-dihyd...)
Show SMILES CCn1ccn(C(=O)OC)[c]1=[Se]
Show InChI InChI=1S/C7H10N2O2Se/c1-3-8-4-5-9(6(8)12)7(10)11-2/h4-5H,3H2,1-2H3
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n/an/a 2.53E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


Citation and Details
More data for this
Ligand-Target Pair