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25 similar compounds to monomer 50332587

Compile data set for download or QSAR
Wt: 232.2
BDBM50029154
Wt: 350.4
BDBM50035108
Wt: 246.3
BDBM50047101
Wt: 220.2
BDBM50162708
Wt: 358.4
BDBM50185794
Wt: 342.4
BDBM50185810
Wt: 343.4
BDBM50187748
Wt: 192.2
BDBM50332582
Purchase
Wt: 206.2
BDBM50332583
Wt: 220.2
BDBM50332584
Wt: 234.3
BDBM50332585
Wt: 248.3
BDBM50332586
Wt: 260.3
BDBM50330840
Wt: 274.3
BDBM50330841
Wt: 246.3
BDBM50332588
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50029154,50035108,50047101,50162708,50185794,50185810,50187748,50332582,50332583,50332584,50332585,50332586,50330840,50330841,50332588   
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
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50187748
PNG
(5-fluoro-3-(1-(3-(piperidin-1-yl)propyl)piperidin-...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1
Show InChI InChI=1S/C21H30FN3/c22-18-5-6-21-19(15-18)20(16-23-21)17-7-13-25(14-8-17)12-4-11-24-9-2-1-3-10-24/h5-6,15-17,23H,1-4,7-14H2
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16n/an/an/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1B receptor in rat liver membranes


Bioorg Med Chem Lett 16: 4045-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.002
BindingDB Entry DOI: 10.7270/Q2514001
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50185810
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
Show InChI InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
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180n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185810
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
Show InChI InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
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290n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185794
PNG
(5-fluoro-3-(1-(naphthalen-1-ylmethyl)piperidin-4-y...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H23FN2/c25-20-8-9-24-22(14-20)23(15-26-24)18-10-12-27(13-11-18)16-19-6-3-5-17-4-1-2-7-21(17)19/h1-9,14-15,18,26H,10-13,16H2
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500n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50187748
PNG
(5-fluoro-3-(1-(3-(piperidin-1-yl)propyl)piperidin-...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1
Show InChI InChI=1S/C21H30FN3/c22-18-5-6-21-19(15-18)20(16-23-21)17-7-13-25(14-8-17)12-4-11-24-9-2-1-3-10-24/h5-6,15-17,23H,1-4,7-14H2
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690n/an/an/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1A receptor in rat submaxillary gland membranes


Bioorg Med Chem Lett 16: 4045-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.002
BindingDB Entry DOI: 10.7270/Q2514001
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185794
PNG
(5-fluoro-3-(1-(naphthalen-1-ylmethyl)piperidin-4-y...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H23FN2/c25-20-8-9-24-22(14-20)23(15-26-24)18-10-12-27(13-11-18)16-19-6-3-5-17-4-1-2-7-21(17)19/h1-9,14-15,18,26H,10-13,16H2
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800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50185794
PNG
(5-fluoro-3-(1-(naphthalen-1-ylmethyl)piperidin-4-y...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H23FN2/c25-20-8-9-24-22(14-20)23(15-26-24)18-10-12-27(13-11-18)16-19-6-3-5-17-4-1-2-7-21(17)19/h1-9,14-15,18,26H,10-13,16H2
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820n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185810
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
Show InChI InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
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1.08E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185810
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
Show InChI InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185794
PNG
(5-fluoro-3-(1-(naphthalen-1-ylmethyl)piperidin-4-y...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H23FN2/c25-20-8-9-24-22(14-20)23(15-26-24)18-10-12-27(13-11-18)16-19-6-3-5-17-4-1-2-7-21(17)19/h1-9,14-15,18,26H,10-13,16H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
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))
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))
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
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035108
PNG
(3-{4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-butyl}-1...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C23H27FN2/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23/h1-2,6-11,17,19,25H,3-5,12-16H2
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n/an/a 34n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor binding site using [3H]ketanserin .


J Med Chem 38: 1998-2008 (1995)


Article DOI: 10.1021/jm00011a019
BindingDB Entry DOI: 10.7270/Q2SJ1M8P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035108
PNG
(3-{4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-butyl}-1...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C23H27FN2/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23/h1-2,6-11,17,19,25H,3-5,12-16H2
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n/an/a 27n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor binding site using [3H]8-OH-DPAT .


J Med Chem 38: 1998-2008 (1995)


Article DOI: 10.1021/jm00011a019
BindingDB Entry DOI: 10.7270/Q2SJ1M8P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50035108
PNG
(3-{4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-butyl}-1...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C23H27FN2/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23/h1-2,6-11,17,19,25H,3-5,12-16H2
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n/an/a 160n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 binding site using [3H]spiroperidol.


J Med Chem 38: 1998-2008 (1995)


Article DOI: 10.1021/jm00011a019
BindingDB Entry DOI: 10.7270/Q2SJ1M8P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035108
PNG
(3-{4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-butyl}-1...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C23H27FN2/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23/h1-2,6-11,17,19,25H,3-5,12-16H2
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n/an/a 1.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine


J Med Chem 38: 1998-2008 (1995)


Article DOI: 10.1021/jm00011a019
BindingDB Entry DOI: 10.7270/Q2SJ1M8P
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))
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))
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))
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330841
PNG
(CHEMBL1275707 | N,N-diethyl-3-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CC)C1CCC(C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1/C17H23FN2/c1-3-20(4-2)14-7-5-12(9-14)16-11-19-17-8-6-13(18)10-15(16)17/h6,8,10-12,14,19H,3-5,7,9H2,1-2H3
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n/an/a 7.30n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330840
PNG
(CHEMBL1275671 | N-ethyl-3-(5-fluoro-1H-indol-3-yl)...)
Show SMILES CCN(C)C1CCC(C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1/C16H21FN2/c1-3-19(2)13-6-4-11(8-13)15-10-18-16-7-5-12(17)9-14(15)16/h5,7,9-11,13,18H,3-4,6,8H2,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
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
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
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