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Compile Data Set for Download or QSAR

Found 544 hits with Last Name = 'rich' and Initial = 'sj'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183152
PNG
(CHEMBL206580 | N-(4-(trifluoromethyl)benzyl)-N-iso...)
Show SMILES CC(C)CN(Cc1ccc(cc1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-7-9-21-10-8-16)12-14-3-5-15(6-4-14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3
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0.0700n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183124
PNG
(CHEMBL381373 | N-(3-(trifluoromethyl)benzyl)-N-iso...)
Show SMILES CC(C)CN(Cc1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-6-8-21-9-7-16)12-14-4-3-5-15(10-14)17(18,19)20/h3-5,10,13,16,21H,6-9,11-12H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183122
PNG
(4-((isobutyl(piperidin-4-yl)amino)methyl)benzonitr...)
Show SMILES CC(C)CN(Cc1ccc(cc1)C#N)C1CCNCC1
Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-7-9-19-10-8-17)13-16-5-3-15(11-18)4-6-16/h3-6,14,17,19H,7-10,12-13H2,1-2H3
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0.280n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183121
PNG
(CHEMBL441358 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES CC(C)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H24F4N2/c1-12(2)10-23(15-5-7-22-8-6-15)11-13-3-4-14(18)9-16(13)17(19,20)21/h3-4,9,12,15,22H,5-8,10-11H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183126
PNG
(CHEMBL207374 | N-(2,4-dimethylbenzyl)-N-isobutylpi...)
Show SMILES CC(C)CN(Cc1ccc(C)cc1C)C1CCNCC1
Show InChI InChI=1S/C18H30N2/c1-14(2)12-20(18-7-9-19-10-8-18)13-17-6-5-15(3)11-16(17)4/h5-6,11,14,18-19H,7-10,12-13H2,1-4H3
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0.390n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183154
PNG
(CHEMBL207067 | CHEMBL207214 | N-(4-fluoro-2-(trifl...)
Show SMILES Fc1ccc(CN(CC2CC2)C2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H22F4N2/c18-14-4-3-13(16(9-14)17(19,20)21)11-23(10-12-1-2-12)15-5-7-22-8-6-15/h3-4,9,12,15,22H,1-2,5-8,10-11H2
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0.400n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183177
PNG
(4-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...)
Show SMILES Fc1ccc(CN(CCCC#N)C2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H21F4N3/c18-14-4-3-13(16(11-14)17(19,20)21)12-24(10-2-1-7-22)15-5-8-23-9-6-15/h3-4,11,15,23H,1-2,5-6,8-10,12H2
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0.400n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183141
PNG
(3-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...)
Show SMILES Fc1ccc(CN(CCC#N)C2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19F4N3/c17-13-3-2-12(15(10-13)16(18,19)20)11-23(9-1-6-21)14-4-7-22-8-5-14/h2-3,10,14,22H,1,4-5,7-9,11H2
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0.400n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183137
PNG
(1-(2-cyclohexyl-4-methylpentyl)-3-ethynylbenzene f...)
Show SMILES CC(C)CN(Cc1cccc(c1)C#N)C1CCNCC1
Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-6-8-19-9-7-17)13-16-5-3-4-15(10-16)11-18/h3-5,10,14,17,19H,6-9,12-13H2,1-2H3
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0.480n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183136
PNG
(CHEMBL208533 | N-(2-chloro-3-(trifluoromethyl)benz...)
Show SMILES CC(C)CN(Cc1cccc(c1Cl)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H24ClF3N2/c1-12(2)10-23(14-6-8-22-9-7-14)11-13-4-3-5-15(16(13)18)17(19,20)21/h3-5,12,14,22H,6-11H2,1-2H3
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0.480n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183135
PNG
(4-((2-(trifluoromethyl)benzyl)(piperidin-4-yl)amin...)
Show SMILES FC(F)(F)c1ccccc1CN(CCCC#N)C1CCNCC1
Show InChI InChI=1S/C17H22F3N3/c18-17(19,20)16-6-2-1-5-14(16)13-23(12-4-3-9-21)15-7-10-22-11-8-15/h1-2,5-6,15,22H,3-4,7-8,10-13H2
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0.580n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183173
PNG
(4-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...)
Show SMILES CC(C)(CCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1)C#N
Show InChI InChI=1S/C19H25F4N3/c1-18(2,13-24)7-10-26(16-5-8-25-9-6-16)12-14-3-4-15(20)11-17(14)19(21,22)23/h3-4,11,16,25H,5-10,12H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183134
PNG
(CHEMBL207854 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES CCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C16H22F4N2/c1-2-9-22(14-5-7-21-8-6-14)11-12-3-4-13(17)10-15(12)16(18,19)20/h3-4,10,14,21H,2,5-9,11H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183154
PNG
(CHEMBL207067 | CHEMBL207214 | N-(4-fluoro-2-(trifl...)
Show SMILES Fc1ccc(CN(CC2CC2)C2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H22F4N2/c18-14-4-3-13(16(9-14)17(19,20)21)11-23(10-12-1-2-12)15-5-7-22-8-6-15/h3-4,9,12,15,22H,1-2,5-8,10-11H2
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0.800n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183176
PNG
(CHEMBL207860 | N-(2,4-dichlorobenzyl)-N-isobutylpi...)
Show SMILES CC(C)CN(Cc1ccc(Cl)cc1Cl)C1CCNCC1
Show InChI InChI=1S/C16H24Cl2N2/c1-12(2)10-20(15-5-7-19-8-6-15)11-13-3-4-14(17)9-16(13)18/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3
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0.960n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183166
PNG
(CHEMBL380191 | isobutyl-(4-methyl-benzyl)-piperidi...)
Show SMILES CC(C)CN(Cc1ccc(C)cc1)C1CCNCC1
Show InChI InChI=1S/C17H28N2/c1-14(2)12-19(17-8-10-18-11-9-17)13-16-6-4-15(3)5-7-16/h4-7,14,17-18H,8-13H2,1-3H3
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0.990n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11644
PNG
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1
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1 -50.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...


J Med Chem 49: 6416-20 (2006)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12648
PNG
((2S,5R)-5-Ethynyl-1-{N-(4-methyl-1-(4-carboxy-pyri...)
Show SMILES CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
Show InChI InChI=1S/C21H25N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,14H2,2H3,(H,28,29)/t16-,17-/m0/s1
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...


J Med Chem 49: 6416-20 (2006)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183147
PNG
(CHEMBL207755 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES COCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H24F4N2O/c1-24-10-2-9-23(15-5-7-22-8-6-15)12-13-3-4-14(18)11-16(13)17(19,20)21/h3-4,11,15,22H,2,5-10,12H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183165
PNG
(CHEMBL438059 | N-(2-(methylthio)benzyl)-N-isobutyl...)
Show SMILES CSc1ccccc1CN(CC(C)C)C1CCNCC1
Show InChI InChI=1S/C17H28N2S/c1-14(2)12-19(16-8-10-18-11-9-16)13-15-6-4-5-7-17(15)20-3/h4-7,14,16,18H,8-13H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183160
PNG
(2-((isobutyl(piperidin-4-yl)amino)methyl)benzonitr...)
Show SMILES CC(C)CN(Cc1ccccc1C#N)C1CCNCC1
Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-7-9-19-10-8-17)13-16-6-4-3-5-15(16)11-18/h3-6,14,17,19H,7-10,12-13H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12647
PNG
((2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-carboxy-pyri...)
Show SMILES CC1(CCN(CC1)c1ccc(cn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
Show InChI InChI=1S/C21H25N5O3/c1-3-16-5-6-17(12-22)26(16)19(27)14-24-21(2)8-10-25(11-9-21)18-7-4-15(13-23-18)20(28)29/h1,4,7,13,16-17,24H,5-6,8-11,14H2,2H3,(H,28,29)/t16-,17-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...


J Med Chem 49: 6416-20 (2006)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183146
PNG
(CHEMBL426316 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES CCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H24F4N2/c1-2-3-10-23(15-6-8-22-9-7-15)12-13-4-5-14(18)11-16(13)17(19,20)21/h4-5,11,15,22H,2-3,6-10,12H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50183151
PNG
(CHEMBL208251 | N-(2-chlorobenzyl)-N-isobutylpiperi...)
Show SMILES CC(C)CN(Cc1ccccc1Cl)C1CCNCC1
Show InChI InChI=1S/C16H25ClN2/c1-13(2)11-19(15-7-9-18-10-8-15)12-14-5-3-4-6-16(14)17/h3-6,13,15,18H,7-12H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183138
PNG
(CHEMBL380890 | N-(2-(trifluoromethyl)benzyl)-N-iso...)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(15-7-9-21-10-8-15)12-14-5-3-4-6-16(14)17(18,19)20/h3-6,13,15,21H,7-12H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183144
PNG
(CHEMBL207810 | N-(5-fluoro-2-methoxybenzyl)-N-isob...)
Show SMILES COc1ccc(F)cc1CN(CC(C)C)C1CCNCC1
Show InChI InChI=1S/C17H27FN2O/c1-13(2)11-20(16-6-8-19-9-7-16)12-14-10-15(18)4-5-17(14)21-3/h4-5,10,13,16,19H,6-9,11-12H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183133
PNG
(CHEMBL207023 | N-(2-(trifluoromethyl)benzyl)-N-but...)
Show SMILES CCCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H25F3N2/c1-2-3-12-22(15-8-10-21-11-9-15)13-14-6-4-5-7-16(14)17(18,19)20/h4-7,15,21H,2-3,8-13H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183129
PNG
(CHEMBL377882 | N-(2-(trifluoromethyl)benzyl)-N-(cy...)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CC1)C1CCNCC1
Show InChI InChI=1S/C17H23F3N2/c18-17(19,20)16-4-2-1-3-14(16)12-22(11-13-5-6-13)15-7-9-21-10-8-15/h1-4,13,15,21H,5-12H2
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1.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183127
PNG
(CHEMBL208067 | isobutyl-(2-methyl-benzyl)-piperidi...)
Show SMILES CC(C)CN(Cc1ccccc1C)C1CCNCC1
Show InChI InChI=1S/C17H28N2/c1-14(2)12-19(17-8-10-18-11-9-17)13-16-7-5-4-6-15(16)3/h4-7,14,17-18H,8-13H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183151
PNG
(CHEMBL208251 | N-(2-chlorobenzyl)-N-isobutylpiperi...)
Show SMILES CC(C)CN(Cc1ccccc1Cl)C1CCNCC1
Show InChI InChI=1S/C16H25ClN2/c1-13(2)11-19(15-7-9-18-10-8-15)12-14-5-3-4-6-16(14)17/h3-6,13,15,18H,7-12H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50183121
PNG
(CHEMBL441358 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES CC(C)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H24F4N2/c1-12(2)10-23(15-5-7-22-8-6-15)11-13-3-4-14(18)9-16(13)17(19,20)21/h3-4,9,12,15,22H,5-8,10-11H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183128
PNG
(CHEMBL207719 | N-(4-fluorobenzyl)-N-isobutylpiperi...)
Show SMILES CC(C)CN(Cc1ccc(F)cc1)C1CCNCC1
Show InChI InChI=1S/C16H25FN2/c1-13(2)11-19(16-7-9-18-10-8-16)12-14-3-5-15(17)6-4-14/h3-6,13,16,18H,7-12H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50183176
PNG
(CHEMBL207860 | N-(2,4-dichlorobenzyl)-N-isobutylpi...)
Show SMILES CC(C)CN(Cc1ccc(Cl)cc1Cl)C1CCNCC1
Show InChI InChI=1S/C16H24Cl2N2/c1-12(2)10-20(15-5-7-19-8-6-15)11-13-3-4-14(17)9-16(13)18/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183164
PNG
(CHEMBL208535 | N-(2,5-dichlorobenzyl)-N-isobutylpi...)
Show SMILES CC(C)CN(Cc1cc(Cl)ccc1Cl)C1CCNCC1
Show InChI InChI=1S/C16H24Cl2N2/c1-12(2)10-20(15-5-7-19-8-6-15)11-13-9-14(17)3-4-16(13)18/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183175
PNG
(CHEMBL208121 | N-(2-(trifluoromethyl)benzyl)-N-pro...)
Show SMILES CCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C16H23F3N2/c1-2-11-21(14-7-9-20-10-8-14)12-13-5-3-4-6-15(13)16(17,18)19/h3-6,14,20H,2,7-12H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183140
PNG
(CHEMBL381056 | isobutyl-(3-methyl-benzyl)-piperidi...)
Show SMILES CC(C)CN(Cc1cccc(C)c1)C1CCNCC1
Show InChI InChI=1S/C17H28N2/c1-14(2)12-19(17-7-9-18-10-8-17)13-16-6-4-5-15(3)11-16/h4-6,11,14,17-18H,7-10,12-13H2,1-3H3
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50183131
PNG
(CHEMBL208232 | N-(2-fluoro-4-(trifluoromethyl)benz...)
Show SMILES CC(C)CN(Cc1ccc(cc1F)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H24F4N2/c1-12(2)10-23(15-5-7-22-8-6-15)11-13-3-4-14(9-16(13)18)17(19,20)21/h3-4,9,12,15,22H,5-8,10-11H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183120
PNG
(CHEMBL378070 | N-(2,4-dimethoxybenzyl)-N-isobutylp...)
Show SMILES COc1ccc(CN(CC(C)C)C2CCNCC2)c(OC)c1
Show InChI InChI=1S/C18H30N2O2/c1-14(2)12-20(16-7-9-19-10-8-16)13-15-5-6-17(21-3)11-18(15)22-4/h5-6,11,14,16,19H,7-10,12-13H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183159
PNG
(CHEMBL207914 | N-(2-(trifluoromethoxy)benzyl)-N-is...)
Show SMILES CC(C)CN(Cc1ccccc1OC(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H25F3N2O/c1-13(2)11-22(15-7-9-21-10-8-15)12-14-5-3-4-6-16(14)23-17(18,19)20/h3-6,13,15,21H,7-12H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183123
PNG
(CHEMBL208178 | N-(2-(trifluoromethyl)benzyl)-N-(3-...)
Show SMILES COCCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H25F3N2O/c1-23-12-4-11-22(15-7-9-21-10-8-15)13-14-5-2-3-6-16(14)17(18,19)20/h2-3,5-6,15,21H,4,7-13H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183153
PNG
(CHEMBL382248 | N-(2-(trifluoromethyl)benzyl)-N-(2-...)
Show SMILES COCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C16H23F3N2O/c1-22-11-10-21(14-6-8-20-9-7-14)12-13-4-2-3-5-15(13)16(17,18)19/h2-5,14,20H,6-12H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183170
PNG
(CHEMBL207480 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES Fc1ccc(CN(CC2CCC2)C2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H24F4N2/c19-15-5-4-14(17(10-15)18(20,21)22)12-24(11-13-2-1-3-13)16-6-8-23-9-7-16/h4-5,10,13,16,23H,1-3,6-9,11-12H2
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2.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50183158
PNG
(CHEMBL208420 | N-(2-(trifluoromethyl)benzyl)-N-neo...)
Show SMILES CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C18H27F3N2/c1-17(2,3)13-23(15-8-10-22-11-9-15)12-14-6-4-5-7-16(14)18(19,20)21/h4-7,15,22H,8-13H2,1-3H3
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2.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183145
PNG
(CHEMBL377678 | N-(2-(trifluoromethyl)benzyl)-N-(3,...)
Show SMILES FC(F)(F)CCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C16H20F6N2/c17-15(18,19)7-10-24(13-5-8-23-9-6-13)11-12-3-1-2-4-14(12)16(20,21)22/h1-4,13,23H,5-11H2
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2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183155
PNG
(CHEMBL377574 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES CCOCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H24F4N2O/c1-2-24-10-9-23(15-5-7-22-8-6-15)12-13-3-4-14(18)11-16(13)17(19,20)21/h3-4,11,15,22H,2,5-10,12H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12646
PNG
((2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-cyano-pyridi...)
Show SMILES CC1(CCN(CC1)c1ccc(cn1)C#N)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
Show InChI InChI=1S/C21H24N6O/c1-3-17-5-6-18(13-23)27(17)20(28)15-25-21(2)8-10-26(11-9-21)19-7-4-16(12-22)14-24-19/h1,4,7,14,17-18,25H,5-6,8-11,15H2,2H3/t17-,18-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...


J Med Chem 49: 6416-20 (2006)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM11644
PNG
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6416-20 (2006)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183163
PNG
(CHEMBL208070 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES CC(C)OCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C18H26F4N2O/c1-13(2)25-10-9-24(16-5-7-23-8-6-16)12-14-3-4-15(19)11-17(14)18(20,21)22/h3-4,11,13,16,23H,5-10,12H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183162
PNG
(CHEMBL207807 | N-(2,4-difluorobenzyl)-N-isobutylpi...)
Show SMILES CC(C)CN(Cc1ccc(F)cc1F)C1CCNCC1
Show InChI InChI=1S/C16H24F2N2/c1-12(2)10-20(15-5-7-19-8-6-15)11-13-3-4-14(17)9-16(13)18/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50183170
PNG
(CHEMBL207480 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES Fc1ccc(CN(CC2CCC2)C2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H24F4N2/c19-15-5-4-14(17(10-15)18(20,21)22)12-24(11-13-2-1-3-13)16-6-8-23-9-7-16/h4-5,10,13,16,23H,1-3,6-9,11-12H2
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3.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
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