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Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'beadle' and Initial = 'cd'   
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 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))
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))
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))
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121539
PNG
(CHEMBL3616856)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)/t2-,3-,4-,5-,10-/m0/s1
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8.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
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))
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121540
PNG
(CHEMBL3616857)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3-,4-,5-,11-/m0/s1
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13n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
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
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121599
PNG
(CHEMBL3616858)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
Show InChI InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)/t2-,3-,4-,5-,10-/m0/s1
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28n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
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))
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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121539
PNG
(CHEMBL3616856)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)/t2-,3-,4-,5-,10-/m0/s1
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43n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121647
PNG
(CHEMBL3616849)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)/t2-,3+,4+,5+,10+/m1/s1
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57n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121652
PNG
(CHEMBL3616851)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
Show InChI InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)/t2-,3+,4+,5+,10+/m1/s1
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58n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121540
PNG
(CHEMBL3616857)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3-,4-,5-,11-/m0/s1
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58n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121655
PNG
(CHEMBL3616854)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,4-,5-,6-,10-/m0/s1
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60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121646
PNG
(CHEMBL3616848)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(C)[nH]1)C(O)=O |r|
Show InChI InChI=1S/C11H14N4O4S/c1-3-13-10(15-14-3)20-4-2-11(12,9(18)19)7-5(4)6(7)8(16)17/h4-7H,2,12H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)/t4-,5+,6+,7+,11+/m1/s1
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62n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121651
PNG
(CHEMBL3616850)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3+,4+,5+,11+/m1/s1
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63n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121642
PNG
(CHEMBL3616860)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1c[nH]nn1)C(O)=O |r|
Show InChI InChI=1S/C10H12N4O4S/c11-10(9(17)18)1-3(19-4-2-12-14-13-4)5-6(7(5)10)8(15)16/h2-3,5-7H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,5-,6-,7-,10-/m0/s1
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65n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121652
PNG
(CHEMBL3616851)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
Show InChI InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)/t2-,3+,4+,5+,10+/m1/s1
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67n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121599
PNG
(CHEMBL3616858)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
Show InChI InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)/t2-,3-,4-,5-,10-/m0/s1
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69n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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72n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121538
PNG
(CHEMBL3616855)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(C)[nH]1)C(O)=O |r|
Show InChI InChI=1S/C11H14N4O4S/c1-3-13-10(15-14-3)20-4-2-11(12,9(18)19)7-5(4)6(7)8(16)17/h4-7H,2,12H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)/t4-,5-,6-,7-,11-/m0/s1
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79n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121641
PNG
(CHEMBL3616859)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C13H18N4O4S/c1-4(2)9-15-12(17-16-9)22-5-3-13(14,11(20)21)8-6(5)7(8)10(18)19/h4-8H,3,14H2,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)/t5-,6-,7-,8-,13-/m0/s1
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83n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121647
PNG
(CHEMBL3616849)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)/t2-,3+,4+,5+,10+/m1/s1
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84n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121651
PNG
(CHEMBL3616850)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
Show InChI InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3+,4+,5+,11+/m1/s1
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96n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin 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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>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
Sodium-dependent serotonin 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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>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
Sodium-dependent serotonin transporter


(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
Sodium-dependent serotonin 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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>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
Sodium-dependent serotonin transporter


(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
Sodium-dependent serotonin 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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>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
Sodium-dependent serotonin transporter


(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
Sodium-dependent serotonin 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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>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
Sodium-dependent serotonin 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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>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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