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13 similar compounds to monomer 50432576

Compile data set for download or QSAR
Wt: 220.2
BDBM50162708
Wt: 192.2
BDBM50332582
Purchase
Wt: 206.2
BDBM50332583
Wt: 220.2
BDBM50332584
Wt: 234.3
BDBM50332585
Wt: 248.3
BDBM50332586
Wt: 248.3
BDBM50332587
Wt: 246.3
BDBM50332588
Wt: 275.3
BDBM50332570
Wt: 208.2
BDBM50432569
Wt: 282.3
BDBM50432578
Wt: 206.2
BDBM50432587
Wt: 177.2
BDBM50432590
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50162708,50332582,50332583,50332584,50332585,50332586,50332587,50332588,50332570,50432569,50432578,50432587,50432590   
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
Sodium-dependent serotonin transporter


(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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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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20n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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50n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3]5-HT uptake


Eur J Med Chem 123: 746-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.053
BindingDB Entry DOI: 10.7270/Q2FQ9ZMZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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53n/an/an/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
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 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
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 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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
Sodium-dependent serotonin transporter


(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 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 17: 5647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.083
BindingDB Entry DOI: 10.7270/Q2KP82Z6
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


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
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


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432590
PNG
(CHEMBL2347174)
Show SMILES CCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H12FN/c1-2-3-8-7-13-11-5-4-9(12)6-10(8)11/h4-7,13H,2-3H2,1H3
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n/an/a>100n/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


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
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


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
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 132n/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


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
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


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50432590
PNG
(CHEMBL2347174)
Show SMILES CCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H12FN/c1-2-3-8-7-13-11-5-4-9(12)6-10(8)11/h4-7,13H,2-3H2,1H3
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n/an/a>100n/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


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
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


J Med Chem 56: 3943-58 (2013)


Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against serotonin transporter protein (SERT) expressed in HEK293 cells


Bioorg Med Chem Lett 15: 1619-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.059
BindingDB Entry DOI: 10.7270/Q25140FV
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 MPO chlorination activity (unknown origin) assessed as taurine chloramine formation after 5 mins in presence of H2O2/Cl- by HTS method


Eur J Med Chem 123: 746-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.053
BindingDB Entry DOI: 10.7270/Q2FQ9ZMZ
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 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))
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))
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))
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