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Compile Data Set for Download or QSAR

Found 187 hits from Eli Lilly and Company Ltd   
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 noradrenaline transporter


(Homo sapiens (human))
BDBM50172776
PNG
(3-(3-Methylamino-propyl)-1-p-tolyl-3,4-dihydro-1H-...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H24N2O/c1-15-9-11-18(12-10-15)22-19-8-4-3-6-16(19)14-17(20(22)23)7-5-13-21-2/h3-4,6,8-12,17,21H,5,7,13-14H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172775
PNG
(6-Fluoro-3-(3-methylamino-propyl)-1-p-tolyl-3,4-di...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H23FN2O/c1-14-5-8-18(9-6-14)23-19-10-7-17(21)13-16(19)12-15(20(23)24)4-3-11-22-2/h5-10,13,15,22H,3-4,11-12H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172764
PNG
(6-Chloro-3-(3-methylamino-propyl)-1-p-tolyl-3,4-di...)
Show SMILES CNCCCC1Cc2cc(Cl)ccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H23ClN2O/c1-14-5-8-18(9-6-14)23-19-10-7-17(21)13-16(19)12-15(20(23)24)4-3-11-22-2/h5-10,13,15,22H,3-4,11-12H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172766
PNG
(3-(3-Methylamino-propyl)-1-phenyl-3-propyl-3,4-dih...)
Show SMILES CCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-3-14-22(15-9-16-23-2)17-18-10-7-8-13-20(18)24(21(22)25)19-11-5-4-6-12-19/h4-8,10-13,23H,3,9,14-17H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172770
PNG
(3-(3-Methylamino-propyl)-1-phenyl-3,4-dihydro-1H-q...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-20-13-7-9-16-14-15-8-5-6-12-18(15)21(19(16)22)17-10-3-2-4-11-17/h2-6,8,10-12,16,20H,7,9,13-14H2,1H3
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8n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172781
PNG
(3-Butyl-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dih...)
Show SMILES CCCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H32N2O/c1-4-5-15-24(16-8-17-25-3)18-20-9-6-7-10-22(20)26(23(24)27)21-13-11-19(2)12-14-21/h6-7,9-14,25H,4-5,8,15-18H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172777
PNG
(3-Methyl-3-(3-methylamino-propyl)-1-p-tolyl-3,4-di...)
Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H26N2O/c1-16-9-11-18(12-10-16)23-19-8-5-4-7-17(19)15-21(2,20(23)24)13-6-14-22-3/h4-5,7-12,22H,6,13-15H2,1-3H3
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9n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172770
PNG
(3-(3-Methylamino-propyl)-1-phenyl-3,4-dihydro-1H-q...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-20-13-7-9-16-14-15-8-5-6-12-18(15)21(19(16)22)17-10-3-2-4-11-17/h2-6,8,10-12,16,20H,7,9,13-14H2,1H3
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10n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Glutamate-Kainate 7


(HUMAN)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
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10n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 3 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172761
PNG
(3-Ethyl-3-(3-methylamino-propyl)-1-phenyl-3,4-dihy...)
Show SMILES CCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-3-21(14-9-15-22-2)16-17-10-7-8-13-19(17)23(20(21)24)18-11-5-4-6-12-18/h4-8,10-13,22H,3,9,14-16H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172772
PNG
(3-(3-Methylamino-propyl)-3-propyl-1-p-tolyl-3,4-di...)
Show SMILES CCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N2O/c1-4-14-23(15-7-16-24-3)17-19-8-5-6-9-21(19)25(22(23)26)20-12-10-18(2)11-13-20/h5-6,8-13,24H,4,7,14-17H2,1-3H3
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11n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50172767
PNG
(1-(3,4-Dichloro-phenyl)-3-(3-methylamino-propyl)-3...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-10-4-6-14-11-13-5-2-3-7-18(13)23(19(14)24)15-8-9-16(20)17(21)12-15/h2-3,5,7-9,12,14,22H,4,6,10-11H2,1H3
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13n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at dopamine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088222
PNG
((2S,4R)-2-Amino-4-((E)-3-naphthalen-2-yl-allyl)-pe...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+/t15-,16+/m1/s1
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15n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172778
PNG
(3-Ethyl-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dih...)
Show SMILES CCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H28N2O/c1-4-22(14-7-15-23-3)16-18-8-5-6-9-20(18)24(21(22)25)19-12-10-17(2)11-13-19/h5-6,8-13,23H,4,7,14-16H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172769
PNG
(1-(3-Fluoro-phenyl)-3-(3-methylamino-propyl)-3,4-d...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1cccc(F)c1
Show InChI InChI=1S/C19H21FN2O/c1-21-11-5-7-15-12-14-6-2-3-10-18(14)22(19(15)23)17-9-4-8-16(20)13-17/h2-4,6,8-10,13,15,21H,5,7,11-12H2,1H3
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18n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172782
PNG
(1-(4-Chloro-phenyl)-3-(3-methylamino-propyl)-3,4-d...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-21-12-4-6-15-13-14-5-2-3-7-18(14)22(19(15)23)17-10-8-16(20)9-11-17/h2-3,5,7-11,15,21H,4,6,12-13H2,1H3
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21n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Grik2


()
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
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32n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 2 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic kainate


(Homo sapiens (Human))
BDBM50091477
PNG
((S)-2-Amino-4-cyclopentylidene-pentanedioic acid |...)
Show SMILES N[C@@H](CC(C(O)=O)=C1CCCC1)C(O)=O
Show InChI InChI=1S/C10H15NO4/c11-8(10(14)15)5-7(9(12)13)6-3-1-2-4-6/h8H,1-5,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
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33n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172760
PNG
(3-(2-Methylamino-ethyl)-1-phenyl-3,4-dihydro-1H-qu...)
Show SMILES CNCCC1Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-19-12-11-15-13-14-7-5-6-10-17(14)20(18(15)21)16-8-3-2-4-9-16/h2-10,15,19H,11-13H2,1H3
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38n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172783
PNG
(6-Chloro-3-methyl-3-(3-methylamino-propyl)-1-p-tol...)
Show SMILES CNCCCC1(C)Cc2cc(Cl)ccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H25ClN2O/c1-15-5-8-18(9-6-15)24-19-10-7-17(22)13-16(19)14-21(2,20(24)25)11-4-12-23-3/h5-10,13,23H,4,11-12,14H2,1-3H3
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43n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172773
PNG
(3-Methyl-3-(3-methylamino-propyl)-1-phenyl-3,4-dih...)
Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-20(13-8-14-21-2)15-16-9-6-7-12-18(16)22(19(20)23)17-10-4-3-5-11-17/h3-7,9-12,21H,8,13-15H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172785
PNG
(6-Chloro-3-ethyl-3-(3-methylamino-propyl)-1-p-toly...)
Show SMILES CCC1(CCCNC)Cc2cc(Cl)ccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H27ClN2O/c1-4-22(12-5-13-24-3)15-17-14-18(23)8-11-20(17)25(21(22)26)19-9-6-16(2)7-10-19/h6-11,14,24H,4-5,12-13,15H2,1-3H3
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47n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50091474
PNG
((2S,4E)-2-amino-4-(2-methylpropylidene)pentanedioi...)
Show SMILES CC(C)\C=C(/C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H15NO4/c1-5(2)3-6(8(11)12)4-7(10)9(13)14/h3,5,7H,4,10H2,1-2H3,(H,11,12)(H,13,14)/b6-3+/t7-/m0/s1
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54n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172760
PNG
(3-(2-Methylamino-ethyl)-1-phenyl-3,4-dihydro-1H-qu...)
Show SMILES CNCCC1Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-19-12-11-15-13-14-7-5-6-10-17(14)20(18(15)21)16-8-3-2-4-9-16/h2-10,15,19H,11-13H2,1H3
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54n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50091481
PNG
((S)-2-Amino-4-propylidene-pentanedioicacid | CHEMB...)
Show SMILES CC\C=C(\C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H13NO4/c1-2-3-5(7(10)11)4-6(9)8(12)13/h3,6H,2,4,9H2,1H3,(H,10,11)(H,12,13)/b5-3-/t6-/m0/s1
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61n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172767
PNG
(1-(3,4-Dichloro-phenyl)-3-(3-methylamino-propyl)-3...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-10-4-6-14-11-13-5-2-3-7-18(13)23(19(14)24)15-8-9-16(20)17(21)12-15/h2-3,5,7-9,12,14,22H,4,6,10-11H2,1H3
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62n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172771
PNG
(1-(3,4-Difluoro-phenyl)-3-methyl-3-(3-methylamino-...)
Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H22F2N2O/c1-20(10-5-11-23-2)13-14-6-3-4-7-18(14)24(19(20)25)15-8-9-16(21)17(22)12-15/h3-4,6-9,12,23H,5,10-11,13H2,1-2H3
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77n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172784
PNG
(1-(3-Chloro-phenyl)-3-(3-methylamino-propyl)-3,4-d...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H21ClN2O/c1-21-11-5-7-15-12-14-6-2-3-10-18(14)22(19(15)23)17-9-4-8-16(20)13-17/h2-4,6,8-10,13,15,21H,5,7,11-12H2,1H3
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79n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50091485
PNG
((S)-2-Amino-4-butylidene-pentanedioic acid | CHEMB...)
Show SMILES CCC\C=C(\C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H15NO4/c1-2-3-4-6(8(11)12)5-7(10)9(13)14/h4,7H,2-3,5,10H2,1H3,(H,11,12)(H,13,14)/b6-4-/t7-/m0/s1
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80n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
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80n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Glutamate receptor (KA2) using cell membranes prepared from HEK293 cells


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50091479
PNG
((S)-2-Amino-4-(2,2-dimethyl-propylidene)-pentanedi...)
Show SMILES CC(C)(C)\C=C(/C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H17NO4/c1-10(2,3)5-6(8(12)13)4-7(11)9(14)15/h5,7H,4,11H2,1-3H3,(H,12,13)(H,14,15)/b6-5+/t7-/m0/s1
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86n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50172762
PNG
(1-(4-Fluoro-phenyl)-3-(3-methylamino-propyl)-3,4-d...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN2O/c1-21-12-4-6-15-13-14-5-2-3-7-18(14)22(19(15)23)17-10-8-16(20)9-11-17/h2-3,5,7-11,15,21H,4,6,12-13H2,1H3
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92n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50091475
PNG
((2S,4Z)-2-amino-4-(2-methylpropylidene)pentanedioi...)
Show SMILES CC(C)\C=C(\C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H15NO4/c1-5(2)3-6(8(11)12)4-7(10)9(13)14/h3,5,7H,4,10H2,1-2H3,(H,11,12)(H,13,14)/b6-3-/t7-/m0/s1
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94n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)


Article DOI: 10.1016/s0960-894x(00)00346-2
BindingDB Entry DOI: 10.7270/Q2765FVB
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172780
PNG
(3-(4-Methylamino-butyl)-1-phenyl-3,4-dihydro-1H-qu...)
Show SMILES CNCCCCC1Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-21-14-8-7-10-17-15-16-9-5-6-13-19(16)22(20(17)23)18-11-3-2-4-12-18/h2-6,9,11-13,17,21H,7-8,10,14-15H2,1H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172773
PNG
(3-Methyl-3-(3-methylamino-propyl)-1-phenyl-3,4-dih...)
Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-20(13-8-14-21-2)15-16-9-6-7-12-18(16)22(19(20)23)17-10-4-3-5-11-17/h3-7,9-12,21H,8,13-15H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172759
PNG
(3-(3-Methylamino-propyl)-1-(4-trifluoromethyl-phen...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O/c1-24-12-4-6-15-13-14-5-2-3-7-18(14)25(19(15)26)17-10-8-16(9-11-17)20(21,22)23/h2-3,5,7-11,15,24H,4,6,12-13H2,1H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172784
PNG
(1-(3-Chloro-phenyl)-3-(3-methylamino-propyl)-3,4-d...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H21ClN2O/c1-21-11-5-7-15-12-14-6-2-3-10-18(14)22(19(15)23)17-9-4-8-16(20)13-17/h2-4,6,8-10,13,15,21H,5,7,11-12H2,1H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172770
PNG
(3-(3-Methylamino-propyl)-1-phenyl-3,4-dihydro-1H-q...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-20-13-7-9-16-14-15-8-5-6-12-18(15)21(19(16)22)17-10-3-2-4-11-17/h2-6,8,10-12,16,20H,7,9,13-14H2,1H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172782
PNG
(1-(4-Chloro-phenyl)-3-(3-methylamino-propyl)-3,4-d...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-21-12-4-6-15-13-14-5-2-3-7-18(14)22(19(15)23)17-10-8-16(20)9-11-17/h2-3,5,7-11,15,21H,4,6,12-13H2,1H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172774
PNG
(3-Methyl-3-(3-methylamino-propyl)-1-m-tolyl-3,4-di...)
Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1cccc(C)c1
Show InChI InChI=1S/C21H26N2O/c1-16-8-6-10-18(14-16)23-19-11-5-4-9-17(19)15-21(2,20(23)24)12-7-13-22-3/h4-6,8-11,14,22H,7,12-13,15H2,1-3H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172775
PNG
(6-Fluoro-3-(3-methylamino-propyl)-1-p-tolyl-3,4-di...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H23FN2O/c1-14-5-8-18(9-6-14)23-19-10-7-17(21)13-16(19)12-15(20(23)24)4-3-11-22-2/h5-10,13,15,22H,3-4,11-12H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172779
PNG
(1-(4-Isopropyl-phenyl)-3-methyl-3-(3-methylamino-p...)
Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H30N2O/c1-17(2)18-10-12-20(13-11-18)25-21-9-6-5-8-19(21)16-23(3,22(25)26)14-7-15-24-4/h5-6,8-13,17,24H,7,14-16H2,1-4H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172760
PNG
(3-(2-Methylamino-ethyl)-1-phenyl-3,4-dihydro-1H-qu...)
Show SMILES CNCCC1Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-19-12-11-15-13-14-7-5-6-10-17(14)20(18(15)21)16-8-3-2-4-9-16/h2-10,15,19H,11-13H2,1H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172758
PNG
(1-(3,5-Dichloro-phenyl)-3-methyl-3-(3-methylamino-...)
Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O/c1-20(8-5-9-23-2)13-14-6-3-4-7-18(14)24(19(20)25)17-11-15(21)10-16(22)12-17/h3-4,6-7,10-12,23H,5,8-9,13H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172761
PNG
(3-Ethyl-3-(3-methylamino-propyl)-1-phenyl-3,4-dihy...)
Show SMILES CCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-3-21(14-9-15-22-2)16-17-10-7-8-13-19(17)23(20(21)24)18-11-5-4-6-12-18/h4-8,10-13,22H,3,9,14-16H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172763
PNG
(1-(3,5-Difluoro-phenyl)-3-methyl-3-(3-methylamino-...)
Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H22F2N2O/c1-20(8-5-9-23-2)13-14-6-3-4-7-18(14)24(19(20)25)17-11-15(21)10-16(22)12-17/h3-4,6-7,10-12,23H,5,8-9,13H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172764
PNG
(6-Chloro-3-(3-methylamino-propyl)-1-p-tolyl-3,4-di...)
Show SMILES CNCCCC1Cc2cc(Cl)ccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H23ClN2O/c1-14-5-8-18(9-6-14)23-19-10-7-17(21)13-16(19)12-15(20(23)24)4-3-11-22-2/h5-10,13,15,22H,3-4,11-12H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172765
PNG
(1-(4-Ethyl-phenyl)-3-(3-methylamino-propyl)-3,4-di...)
Show SMILES CCc1ccc(cc1)N1C(=O)C(CCCNC)Cc2ccccc12
Show InChI InChI=1S/C21H26N2O/c1-3-16-10-12-19(13-11-16)23-20-9-5-4-7-17(20)15-18(21(23)24)8-6-14-22-2/h4-5,7,9-13,18,22H,3,6,8,14-15H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172767
PNG
(1-(3,4-Dichloro-phenyl)-3-(3-methylamino-propyl)-3...)
Show SMILES CNCCCC1Cc2ccccc2N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-10-4-6-14-11-13-5-2-3-7-18(13)23(19(14)24)15-8-9-16(20)17(21)12-15/h2-3,5,7-9,12,14,22H,4,6,10-11H2,1H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50172771
PNG
(1-(3,4-Difluoro-phenyl)-3-methyl-3-(3-methylamino-...)
Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H22F2N2O/c1-20(10-5-11-23-2)13-14-6-3-4-7-18(14)24(19(20)25)15-8-9-16(21)17(22)12-15/h3-4,6-9,12,23H,5,10-11,13H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
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