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Compile Data Set for Download or QSAR

Found 211 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase (MPO)'   
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
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432573
PNG
(CHEMBL2347170)
Show SMILES NCCSCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C12H15FN2S/c13-11-3-1-2-10-9(8-15-12(10)11)4-6-16-7-5-14/h1-3,8,15H,4-7,14H2
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n/an/a 3n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432575
PNG
(CHEMBL2347168)
Show SMILES NCCSCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2S/c13-10-1-2-12-11(7-10)9(8-15-12)3-5-16-6-4-14/h1-2,7-8,15H,3-6,14H2
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n/an/a 4n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432568
PNG
(CHEMBL2347177)
Show SMILES Fc1ccc2[nH]cc(CCCSC#N)c2c1
Show InChI InChI=1S/C12H11FN2S/c13-10-3-4-12-11(6-10)9(7-15-12)2-1-5-16-8-14/h3-4,6-7,15H,1-2,5H2
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n/an/a 5n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332590
PNG
(5-(5-fluoro-1H-indol-3-yl)pentan-1-amine | CHEMBL1...)
Show SMILES NCCCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2/c14-11-5-6-13-12(8-11)10(9-16-13)4-2-1-3-7-15/h5-6,8-9,16H,1-4,7,15H2
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n/an/a 5n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(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 5.01n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
Assays were performed at 22 C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...


J Biol Chem 288: 36636-47 (2013)

More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432573
PNG
(CHEMBL2347170)
Show SMILES NCCSCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C12H15FN2S/c13-11-3-1-2-10-9(8-15-12(10)11)4-6-16-7-5-14/h1-3,8,15H,4-7,14H2
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n/an/a 6n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432580
PNG
(CHEMBL2347032)
Show SMILES NCCCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C12H15FN2/c13-11-6-3-5-10-9(4-1-2-7-14)8-15-12(10)11/h3,5-6,8,15H,1-2,4,7,14H2
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n/an/a 6n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332590
PNG
(5-(5-fluoro-1H-indol-3-yl)pentan-1-amine | CHEMBL1...)
Show SMILES NCCCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2/c14-11-5-6-13-12(8-11)10(9-16-13)4-2-1-3-7-15/h5-6,8-9,16H,1-4,7,15H2
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n/an/a 8n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432575
PNG
(CHEMBL2347168)
Show SMILES NCCSCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2S/c13-10-1-2-12-11(7-10)9(8-15-12)3-5-16-6-4-14/h1-2,7-8,15H,3-6,14H2
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n/an/a 8n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432577
PNG
(CHEMBL2347166)
Show SMILES OCCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2O/c13-10-1-2-12-11(7-10)9(8-15-12)3-4-14-5-6-16/h1-2,7-8,14-16H,3-6H2
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n/an/a 10n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432576
PNG
(CHEMBL2347167)
Show SMILES OCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2O/c14-11-3-4-13-12(8-11)10(9-16-13)2-1-5-15-6-7-17/h3-4,8-9,15-17H,1-2,5-7H2
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n/an/a 10n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432569
PNG
(CHEMBL2347176)
Show SMILES ONCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2O/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-14-15/h3-4,6-7,13-15H,1-2,5H2
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n/an/a 11n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332589
PNG
(4-(5-fluoro-1H-indol-3-yl)butan-1-amine | CHEMBL16...)
Show SMILES NCCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4-5,7-8,15H,1-3,6,14H2
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n/an/a 12n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432578
PNG
(CHEMBL2347165)
Show SMILES Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1
Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2
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n/an/a 13n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432571
PNG
(CHEMBL2346670)
Show SMILES CCN(CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C13H17FN2O2S/c1-3-16(19(2,17)18)7-6-10-9-15-13-5-4-11(14)8-12(10)13/h4-5,8-9,15H,3,6-7H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332589
PNG
(4-(5-fluoro-1H-indol-3-yl)butan-1-amine | CHEMBL16...)
Show SMILES NCCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4-5,7-8,15H,1-3,6,14H2
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n/an/a 15n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332586
PNG
(CHEMBL1630737 | N-(3-(5-fluoro-1H-indol-3-yl)propy...)
Show SMILES CCCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H21FN2/c1-2-3-8-17-9-4-5-12-11-18-15-7-6-13(16)10-14(12)15/h6-7,10-11,17-18H,2-5,8-9H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432565
PNG
(CHEMBL2347181)
Show SMILES NC(=O)CCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H13FN2O/c13-9-4-5-11-10(6-9)8(7-15-11)2-1-3-12(14)16/h4-7,15H,1-3H2,(H2,14,16)
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n/an/a 18n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432565
PNG
(CHEMBL2347181)
Show SMILES NC(=O)CCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H13FN2O/c13-9-4-5-11-10(6-9)8(7-15-11)2-1-3-12(14)16/h4-7,15H,1-3H2,(H2,14,16)
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n/an/a 18n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432574
PNG
(CHEMBL2347169)
Show SMILES NCCSCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2S/c14-11-3-4-13-12(8-11)10(9-16-13)2-1-6-17-7-5-15/h3-4,8-9,16H,1-2,5-7,15H2
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n/an/a 21n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432569
PNG
(CHEMBL2347176)
Show SMILES ONCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2O/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-14-15/h3-4,6-7,13-15H,1-2,5H2
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n/an/a 21n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432580
PNG
(CHEMBL2347032)
Show SMILES NCCCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C12H15FN2/c13-11-6-3-5-10-9(4-1-2-7-14)8-15-12(10)11/h3,5-6,8,15H,1-2,4,7,14H2
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n/an/a 21n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432579
PNG
(CHEMBL2347034)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C21H24FN3/c22-18-8-9-21-20(15-18)17(16-23-21)5-4-10-24-11-13-25(14-12-24)19-6-2-1-3-7-19/h1-3,6-9,15-16,23H,4-5,10-14H2
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n/an/a 22n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432568
PNG
(CHEMBL2347177)
Show SMILES Fc1ccc2[nH]cc(CCCSC#N)c2c1
Show InChI InChI=1S/C12H11FN2S/c13-10-3-4-12-11(6-10)9(7-15-12)2-1-5-16-8-14/h3-4,6-7,15H,1-2,5H2
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n/an/a 23n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432588
PNG
(CHEMBL2347024)
Show SMILES NC(=O)CCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C12H13FN2O/c13-10-5-2-4-9-8(7-15-12(9)10)3-1-6-11(14)16/h2,4-5,7,15H,1,3,6H2,(H2,14,16)
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n/an/a 24n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432581
PNG
(CHEMBL2347030)
Show SMILES NCCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2
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n/an/a 24n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(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 25.1n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
Assays were performed at 22 C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...


J Biol Chem 288: 36636-47 (2013)

More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332583
PNG
(3-(5-fluoro-1H-indol-3-yl)-N-methylpropan-1-amine ...)
Show SMILES CNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c1-14-6-2-3-9-8-15-12-5-4-10(13)7-11(9)12/h4-5,7-8,14-15H,2-3,6H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432588
PNG
(CHEMBL2347024)
Show SMILES NC(=O)CCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C12H13FN2O/c13-10-5-2-4-9-8(7-15-12(9)10)3-1-6-11(14)16/h2,4-5,7,15H,1,3,6H2,(H2,14,16)
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n/an/a 26n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432581
PNG
(CHEMBL2347030)
Show SMILES NCCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2
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n/an/a 26n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432567
PNG
(CHEMBL2347178)
Show SMILES NCC(N)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H16FN3/c13-9-2-4-12-11(5-9)8(7-16-12)1-3-10(15)6-14/h2,4-5,7,10,16H,1,3,6,14-15H2
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n/an/a 26n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432570
PNG
(CHEMBL2347175)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C14H19FN2O2S/c1-3-17(20(2,18)19)8-4-5-11-10-16-14-7-6-12(15)9-13(11)14/h6-7,9-10,16H,3-5,8H2,1-2H3
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n/an/a 27n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432571
PNG
(CHEMBL2346670)
Show SMILES CCN(CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C13H17FN2O2S/c1-3-16(19(2,17)18)7-6-10-9-15-13-5-4-11(14)8-12(10)13/h4-5,8-9,15H,3,6-7H2,1-2H3
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n/an/a 27n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432582
PNG
(CHEMBL205229)
Show SMILES NCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C10H11FN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2
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n/an/a 28n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432582
PNG
(CHEMBL205229)
Show SMILES NCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C10H11FN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2
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n/an/a 29n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432578
PNG
(CHEMBL2347165)
Show SMILES Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1
Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2
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n/an/a 30n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432577
PNG
(CHEMBL2347166)
Show SMILES OCCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2O/c13-10-1-2-12-11(7-10)9(8-15-12)3-4-14-5-6-16/h1-2,7-8,14-16H,3-6H2
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n/an/a 31n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432585
PNG
(CHEMBL2347027)
Show SMILES NC(=O)CCCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C13H15FN2O/c14-11-6-3-5-10-9(8-16-13(10)11)4-1-2-7-12(15)17/h3,5-6,8,16H,1-2,4,7H2,(H2,15,17)
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n/an/a 34n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432587
PNG
(CHEMBL2347025)
Show SMILES NC(=O)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H11FN2O/c12-8-2-3-10-9(5-8)7(6-14-10)1-4-11(13)15/h2-3,5-6,14H,1,4H2,(H2,13,15)
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n/an/a 34n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432574
PNG
(CHEMBL2347169)
Show SMILES NCCSCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2S/c14-11-3-4-13-12(8-11)10(9-16-13)2-1-6-17-7-5-15/h3-4,8-9,16H,1-2,5-7,15H2
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n/an/a 35n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432570
PNG
(CHEMBL2347175)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C14H19FN2O2S/c1-3-17(20(2,18)19)8-4-5-11-10-16-14-7-6-12(15)9-13(11)14/h6-7,9-10,16H,3-5,8H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432586
PNG
(CHEMBL2347026)
Show SMILES NC(=O)CCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H15FN2O/c14-10-5-6-12-11(7-10)9(8-16-12)3-1-2-4-13(15)17/h5-8,16H,1-4H2,(H2,15,17)
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n/an/a 39n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432584
PNG
(CHEMBL2347028)
Show SMILES CNC(=O)CCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H15FN2O/c1-15-13(17)4-2-3-9-8-16-12-6-5-10(14)7-11(9)12/h5-8,16H,2-4H2,1H3,(H,15,17)
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n/an/a 40n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332580
PNG
(5-fluoro-3-(2-(pyrrolidin-1-yl)ethyl)-1H-indole | ...)
Show SMILES Fc1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C14H17FN2/c15-12-3-4-14-13(9-12)11(10-16-14)5-8-17-6-1-2-7-17/h3-4,9-10,16H,1-2,5-8H2
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n/an/a 40n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432576
PNG
(CHEMBL2347167)
Show SMILES OCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2O/c14-11-3-4-13-12(8-11)10(9-16-13)2-1-5-15-6-7-17/h3-4,8-9,15-17H,1-2,5-7H2
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n/an/a 43n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432586
PNG
(CHEMBL2347026)
Show SMILES NC(=O)CCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H15FN2O/c14-10-5-6-12-11(7-10)9(8-16-12)3-1-2-4-13(15)17/h5-8,16H,1-4H2,(H2,15,17)
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n/an/a 43n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432585
PNG
(CHEMBL2347027)
Show SMILES NC(=O)CCCCc1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C13H15FN2O/c14-11-6-3-5-10-9(8-16-13(10)11)4-1-2-7-12(15)17/h3,5-6,8,16H,1-2,4,7H2,(H2,15,17)
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n/an/a 44n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50162708
PNG
(3-(5-fluoro-1H-indol-3-yl)-N,N-dimethylpropan-1-am...)
Show SMILES CN(C)CCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2/c1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13/h5-6,8-9,15H,3-4,7H2,1-2H3
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n/an/a 49n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332582
PNG
(3-(5-fluoro-1H-indol-3-yl)propan-1-amine | CHEMBL1...)
Show SMILES NCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13/h3-4,6-7,14H,1-2,5,13H2
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n/an/a 50n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432579
PNG
(CHEMBL2347034)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C21H24FN3/c22-18-8-9-21-20(15-18)17(16-23-21)5-4-10-24-11-13-25(14-12-24)19-6-2-1-3-7-19/h1-3,6-9,15-16,23H,4-5,10-14H2
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MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PubMed
n/an/a 60n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
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