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26 similar compounds to monomer 50332589

Compile data set for download or QSAR
Wt: 232.2
BDBM50029154
Wt: 246.3
BDBM50047101
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: 220.2
BDBM50332590
Wt: 234.3
BDBM50332569
Wt: 220.2
BDBM50432565
Wt: 202.2
BDBM50432566
Wt: 221.2
BDBM50432567
Wt: 208.2
BDBM50432569
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50029154,50047101,50162708,50332582,50332583,50332584,50332585,50332586,50332587,50332590,50332569,50432565,50432566,50432567,50432569   
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))
BDBM50432567
PNG
(CHEMBL2347178)
Show SMILES NCC(N)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1/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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12n/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))
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))
BDBM50432566
PNG
(CHEMBL2347179)
Show SMILES Fc1ccc2[nH]cc(CCCC#N)c2c1
Show InChI InChI=1S/C12H11FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4-5,7-8,15H,1-3H2
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184n/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))
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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631n/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))
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))
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))
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))
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))
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))
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))
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))
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))
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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50029154
PNG
(5-Fluoro-3-piperidin-4-ylmethyl-1H-indole | CHEMBL...)
Show SMILES Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
Show InChI InChI=1S/C14H17FN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of noradrenaline in rat brain hypothalamus


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50029154
PNG
(5-Fluoro-3-piperidin-4-ylmethyl-1H-indole | CHEMBL...)
Show SMILES Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
Show InChI InChI=1S/C14H17FN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of dopamine (DA) rat brain striatum


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50029154
PNG
(5-Fluoro-3-piperidin-4-ylmethyl-1H-indole | CHEMBL...)
Show SMILES Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
Show InChI InChI=1S/C14H17FN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of uptake of 5-HT in human platelets


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50029154
PNG
(5-Fluoro-3-piperidin-4-ylmethyl-1H-indole | CHEMBL...)
Show SMILES Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
Show InChI InChI=1S/C14H17FN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of 5-HT in rat brain cortex


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
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))
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


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))
BDBM50432566
PNG
(CHEMBL2347179)
Show SMILES Fc1ccc2[nH]cc(CCCC#N)c2c1
Show InChI InChI=1S/C12H11FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4-5,7-8,15H,1-3H2
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n/an/a 72n/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))
BDBM50432567
PNG
(CHEMBL2347178)
Show SMILES NCC(N)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1/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


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))
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


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))
BDBM50432566
PNG
(CHEMBL2347179)
Show SMILES Fc1ccc2[nH]cc(CCCC#N)c2c1
Show InChI InChI=1S/C12H11FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4-5,7-8,15H,1-3H2
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n/an/a 63n/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))
BDBM50432567
PNG
(CHEMBL2347178)
Show SMILES NCC(N)CCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1/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 60n/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
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


(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



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...


J Med Chem 60: 6563-6586 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00285
BindingDB Entry DOI: 10.7270/Q27D2XD7
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50047101
PNG
(5-Fluoro-3-(1-methyl-piperidin-4-ylmethyl)-1H-indo...)
Show SMILES CN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C15H19FN2/c1-18-6-4-11(5-7-18)8-12-10-17-15-3-2-13(16)9-14(12)15/h2-3,9-11,17H,4-8H2,1H3
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n/an/a>100n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50047101
PNG
(5-Fluoro-3-(1-methyl-piperidin-4-ylmethyl)-1H-indo...)
Show SMILES CN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C15H19FN2/c1-18-6-4-11(5-7-18)8-12-10-17-15-3-2-13(16)9-14(12)15/h2-3,9-11,17H,4-8H2,1H3
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n/an/a>100n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]-spiperone in rat striatal membranes


J Med Chem 36: 1194-202 (1993)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Myeloperoxidase


(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 cathepsin D.


J Med Chem 60: 6563-6586 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00285
BindingDB Entry DOI: 10.7270/Q27D2XD7
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50029154
PNG
(5-Fluoro-3-piperidin-4-ylmethyl-1H-indole | CHEMBL...)
Show SMILES Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
Show InChI InChI=1S/C14H17FN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
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n/an/a 1.60n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50029154
PNG
(5-Fluoro-3-piperidin-4-ylmethyl-1H-indole | CHEMBL...)
Show SMILES Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
Show InChI InChI=1S/C14H17FN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
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n/an/a>100n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]-spiperone in rat striatal membranes


J Med Chem 36: 1194-202 (1993)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair