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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Lactoperoxidase' AND taxid = 9606   
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


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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Article
PubMed
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
PDB
MMDB

KEGG

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KEGG
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
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)
PDB
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PDB
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Article
PubMed
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
PDB
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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
PDB
MMDB

KEGG

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PC sid
UniChem

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Article
PubMed
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
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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