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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'néve' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
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))
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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332578
PNG
(2-(5-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine ...)
Show SMILES CN(C)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
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PubMed
n/an/a 90n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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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PubMed
n/an/a 130n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332579
PNG
(CHEMBL1630730 | N,N-diethyl-2-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-6-5-12(15)9-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
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n/an/a 160n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332585
PNG
(3-(5-fluoro-1H-indol-3-yl)-N-propylpropan-1-amine ...)
Show SMILES CCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-2-7-16-8-3-4-11-10-17-14-6-5-12(15)9-13(11)14/h5-6,9-10,16-17H,2-4,7-8H2,1H3
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n/an/a 170n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332584
PNG
(CHEMBL1630735 | N-ethyl-3-(5-fluoro-1H-indol-3-yl)...)
Show SMILES CCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2/c1-2-15-7-3-4-10-9-16-13-6-5-11(14)8-12(10)13/h5-6,8-9,15-16H,2-4,7H2,1H3
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n/an/a 190n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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 200n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/a 200n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332572
PNG
(CHEMBL1630723 | N-ethyl-N-((5-fluoro-1H-indol-3-yl...)
Show SMILES CCN(CC)Cc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2/c1-3-16(4-2)9-10-8-15-13-6-5-11(14)7-12(10)13/h5-8,15H,3-4,9H2,1-2H3
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n/an/a 200n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332574
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-methylethanamine | CH...)
Show SMILES CNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2/c1-13-5-4-8-7-14-11-3-2-9(12)6-10(8)11/h2-3,6-7,13-14H,4-5H2,1H3
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n/an/a 200n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332581
PNG
(5-fluoro-3-(2-(4-methylpiperazin-1-yl)ethyl)-1H-in...)
Show SMILES CN1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C15H20FN3/c1-18-6-8-19(9-7-18)5-4-12-11-17-15-3-2-13(16)10-14(12)15/h2-3,10-11,17H,4-9H2,1H3
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n/an/a 200n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332588
PNG
(5-fluoro-3-(3-(pyrrolidin-1-yl)propyl)-1H-indole |...)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCCC3)c2c1
Show InChI InChI=1S/C15H19FN2/c16-13-5-6-15-14(10-13)12(11-17-15)4-3-9-18-7-1-2-8-18/h5-6,10-11,17H,1-4,7-9H2
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n/an/a 210n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332577
PNG
(CHEMBL1630728 | N-(2-(5-fluoro-1H-indol-3-yl)ethyl...)
Show SMILES CCCCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-2-3-7-16-8-6-11-10-17-14-5-4-12(15)9-13(11)14/h4-5,9-10,16-17H,2-3,6-8H2,1H3
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n/an/a 250n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332569
PNG
(6-(5-fluoro-1H-indol-3-yl)hexan-1-amine | CHEMBL16...)
Show SMILES NCCCCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c15-12-6-7-14-13(9-12)11(10-17-14)5-3-1-2-4-8-16/h6-7,9-10,17H,1-5,8,16H2
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n/an/a 260n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332575
PNG
(CHEMBL1630726 | N-ethyl-2-(5-fluoro-1H-indol-3-yl)...)
Show SMILES CCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c1-2-14-6-5-9-8-15-12-4-3-10(13)7-11(9)12/h3-4,7-8,14-15H,2,5-6H2,1H3
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n/an/a 300n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332584
PNG
(CHEMBL1630735 | N-ethyl-3-(5-fluoro-1H-indol-3-yl)...)
Show SMILES CCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2/c1-2-15-7-3-4-10-9-16-13-6-5-11(14)8-12(10)13/h5-6,8-9,15-16H,2-4,7H2,1H3
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n/an/a 300n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332570
PNG
(5-fluoro-3-(3-(4-methylpiperazin-1-yl)propyl)-1H-i...)
Show SMILES CN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C16H22FN3/c1-19-7-9-20(10-8-19)6-2-3-13-12-18-16-5-4-14(17)11-15(13)16/h4-5,11-12,18H,2-3,6-10H2,1H3
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n/an/a 310n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332588
PNG
(5-fluoro-3-(3-(pyrrolidin-1-yl)propyl)-1H-indole |...)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCCC3)c2c1
Show InChI InChI=1S/C15H19FN2/c16-13-5-6-15-14(10-13)12(11-17-15)4-3-9-18-7-1-2-8-18/h5-6,10-11,17H,1-4,7-9H2
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n/an/a 320n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332585
PNG
(3-(5-fluoro-1H-indol-3-yl)-N-propylpropan-1-amine ...)
Show SMILES CCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-2-7-16-8-3-4-11-10-17-14-6-5-12(15)9-13(11)14/h5-6,9-10,16-17H,2-4,7-8H2,1H3
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n/an/a 340n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332570
PNG
(5-fluoro-3-(3-(4-methylpiperazin-1-yl)propyl)-1H-i...)
Show SMILES CN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C16H22FN3/c1-19-7-9-20(10-8-19)6-2-3-13-12-18-16-5-4-14(17)11-15(13)16/h4-5,11-12,18H,2-3,6-10H2,1H3
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n/an/a 350n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332587
PNG
(CHEMBL1630738 | N,N-diethyl-3-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CC)CCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H21FN2/c1-3-18(4-2)9-5-6-12-11-17-15-8-7-13(16)10-14(12)15/h7-8,10-11,17H,3-6,9H2,1-2H3
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n/an/a 350n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332587
PNG
(CHEMBL1630738 | N,N-diethyl-3-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CC)CCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H21FN2/c1-3-18(4-2)9-5-6-12-11-17-15-8-7-13(16)10-14(12)15/h7-8,10-11,17H,3-6,9H2,1-2H3
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n/an/a 390n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332576
PNG
(CHEMBL1630727 | N-(2-(5-fluoro-1H-indol-3-yl)ethyl...)
Show SMILES CCCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2/c1-2-6-15-7-5-10-9-16-13-4-3-11(14)8-12(10)13/h3-4,8-9,15-16H,2,5-7H2,1H3
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n/an/a 460n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332579
PNG
(CHEMBL1630730 | N,N-diethyl-2-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-6-5-12(15)9-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
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n/an/a 510n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332578
PNG
(2-(5-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine ...)
Show SMILES CN(C)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
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n/an/a 580n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332569
PNG
(6-(5-fluoro-1H-indol-3-yl)hexan-1-amine | CHEMBL16...)
Show SMILES NCCCCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c15-12-6-7-14-13(9-12)11(10-17-14)5-3-1-2-4-8-16/h6-7,9-10,17H,1-5,8,16H2
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n/an/a 580n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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 650n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332574
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-methylethanamine | CH...)
Show SMILES CNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2/c1-13-5-4-8-7-14-11-3-2-9(12)6-10(8)11/h2-3,6-7,13-14H,4-5H2,1H3
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n/an/a 650n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332581
PNG
(5-fluoro-3-(2-(4-methylpiperazin-1-yl)ethyl)-1H-in...)
Show SMILES CN1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C15H20FN3/c1-18-6-8-19(9-7-18)5-4-12-11-17-15-3-2-13(16)10-14(12)15/h2-3,10-11,17H,4-9H2,1H3
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n/an/a 650n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332576
PNG
(CHEMBL1630727 | N-(2-(5-fluoro-1H-indol-3-yl)ethyl...)
Show SMILES CCCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2/c1-2-6-15-7-5-10-9-16-13-4-3-11(14)8-12(10)13/h3-4,8-9,15-16H,2,5-7H2,1H3
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n/an/a 800n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332575
PNG
(CHEMBL1630726 | N-ethyl-2-(5-fluoro-1H-indol-3-yl)...)
Show SMILES CCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c1-2-14-6-5-9-8-15-12-4-3-10(13)7-11(9)12/h3-4,7-8,14-15H,2,5-6H2,1H3
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n/an/a 850n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332571
PNG
((5-fluoro-1H-indol-3-yl)methanamine | CHEMBL163072...)
Show SMILES NCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C9H9FN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2
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n/an/a 900n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/a 940n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332573
PNG
(5-fluoro-3-((4-methylpiperazin-1-yl)methyl)-1H-ind...)
Show SMILES CN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C14H18FN3/c1-17-4-6-18(7-5-17)10-11-9-16-14-3-2-12(15)8-13(11)14/h2-3,8-9,16H,4-7,10H2,1H3
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n/an/a>1.00E+3n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332572
PNG
(CHEMBL1630723 | N-ethyl-N-((5-fluoro-1H-indol-3-yl...)
Show SMILES CCN(CC)Cc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C13H17FN2/c1-3-16(4-2)9-10-8-15-13-6-5-11(14)7-12(10)13/h5-8,15H,3-4,9H2,1-2H3
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n/an/a>1.00E+3n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332571
PNG
((5-fluoro-1H-indol-3-yl)methanamine | CHEMBL163072...)
Show SMILES NCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C9H9FN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2
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n/an/a>1.00E+3n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332573
PNG
(5-fluoro-3-((4-methylpiperazin-1-yl)methyl)-1H-ind...)
Show SMILES CN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C14H18FN3/c1-17-4-6-18(7-5-17)10-11-9-16-14-3-2-12(15)8-13(11)14/h2-3,8-9,16H,4-7,10H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.00E+3n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50332577
PNG
(CHEMBL1630728 | N-(2-(5-fluoro-1H-indol-3-yl)ethyl...)
Show SMILES CCCCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-2-3-7-16-8-6-11-10-17-14-5-4-12(15)9-13(11)14/h4-5,9-10,16-17H,2-3,6-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+3n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+3n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/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


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair