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PubMed code 28274674

Compile data set for download or QSAR
Found 93 hits of Enzyme Inhibition Constant Data   
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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 43n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235718
PNG
(CHEMBL4073939)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N5/c1-4-11-24(12-5-1)23-25-17-21-33(22-18-25)19-10-20-34-29(30-31-32-34)28(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,25,28H,10,17-23H2
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n/an/a 94n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235734
PNG
(CHEMBL4083724)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C31H38N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2
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n/an/a 98n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235734
PNG
(CHEMBL4083724)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C31H38N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2
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n/an/a 99n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 110n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235734
PNG
(CHEMBL4083724)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C31H38N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2
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n/an/a 159n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235730
PNG
(CHEMBL3613151)
Show SMILES O=C(NCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c31-28(27(25-12-6-2-7-13-25)26-14-8-3-9-15-26)29-18-21-30-19-16-24(17-20-30)22-23-10-4-1-5-11-23/h1-15,24,27H,16-22H2,(H,29,31)
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n/an/a 190n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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n/an/a 200n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235736
PNG
(CHEMBL4074999)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N6/c1-4-11-24(12-5-1)23-33-21-19-32(20-22-33)17-10-18-34-28(29-30-31-34)27(25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16,27H,10,17-23H2
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Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235717
PNG
(CHEMBL4092998)
Show SMILES C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31N5/c1-4-10-23(11-5-1)22-24-16-18-32(19-17-24)20-21-33-28(29-30-31-33)27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235735
PNG
(CHEMBL4103183)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H34N6/c1-4-12-25(13-5-1)24-34-22-20-33(21-23-34)18-10-11-19-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,12-17,28H,10-11,18-24H2
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n/an/a 317n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235731
PNG
(CHEMBL4082767)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C31H36N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-19,30H,10-11,20-26H2/b15-12+
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n/an/a 318n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235735
PNG
(CHEMBL4103183)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H34N6/c1-4-12-25(13-5-1)24-34-22-20-33(21-23-34)18-10-11-19-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,12-17,28H,10-11,18-24H2
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Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235725
PNG
(CHEMBL4081753)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C30H36N6/c1-4-12-26(13-5-1)18-21-35-24-22-34(23-25-35)19-10-11-20-36-30(31-32-33-36)29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,29H,10-11,18-25H2
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n/an/a 329n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235724
PNG
(CHEMBL4099773)
Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N6/c1-4-11-25(12-5-1)17-20-34-23-21-33(22-24-34)18-10-19-35-29(30-31-32-35)28(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2
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Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235718
PNG
(CHEMBL4073939)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N5/c1-4-11-24(12-5-1)23-25-17-21-33(22-18-25)19-10-20-34-29(30-31-32-34)28(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,25,28H,10,17-23H2
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n/an/a 519n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235736
PNG
(CHEMBL4074999)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N6/c1-4-11-24(12-5-1)23-33-21-19-32(20-22-33)17-10-18-34-28(29-30-31-34)27(25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16,27H,10,17-23H2
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Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235719
PNG
(CHEMBL4100713)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H35N5/c1-4-12-25(13-5-1)24-26-18-22-34(23-19-26)20-10-11-21-35-30(31-32-33-35)29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,26,29H,10-11,18-24H2
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Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235727
PNG
(CHEMBL4063684)
Show SMILES C(CN1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C30H36N6/c1-4-12-26(13-5-1)14-10-19-34-22-24-35(25-23-34)20-11-21-36-30(31-32-33-36)29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-9,12-13,15-18,29H,10-11,14,19-25H2
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Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235723
PNG
(CHEMBL4082902)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25F2N3O/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)30-18-17-28-13-15-29(16-14-28)23-3-1-2-12-27-23/h1-12,24H,13-18H2
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n/an/a 579n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235719
PNG
(CHEMBL4100713)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H35N5/c1-4-12-25(13-5-1)24-26-18-22-34(23-19-26)20-10-11-21-35-30(31-32-33-35)29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,26,29H,10-11,18-24H2
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Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235723
PNG
(CHEMBL4082902)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25F2N3O/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)30-18-17-28-13-15-29(16-14-28)23-3-1-2-12-27-23/h1-12,24H,13-18H2
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n/an/a 603n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235725
PNG
(CHEMBL4081753)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C30H36N6/c1-4-12-26(13-5-1)18-21-35-24-22-34(23-25-35)19-10-11-20-36-30(31-32-33-36)29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,29H,10-11,18-25H2
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n/an/a 608n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235729
PNG
(CHEMBL3613152)
Show SMILES Clc1ccc(cc1)C(C(=O)NCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H30Cl2N2O/c29-25-10-6-23(7-11-25)27(24-8-12-26(30)13-9-24)28(33)31-16-19-32-17-14-22(15-18-32)20-21-4-2-1-3-5-21/h1-13,22,27H,14-20H2,(H,31,33)
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n/an/a 630n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235720
PNG
(CHEMBL4085259)
Show SMILES C(Cc1ccccc1)N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H32N6/c1-4-10-24(11-5-1)16-17-32-18-20-33(21-19-32)22-23-34-28(29-30-31-34)27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2
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n/an/a 680n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235726
PNG
(CHEMBL4091502)
Show SMILES C(CN1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H34N6/c1-4-11-25(12-5-1)13-10-18-33-19-21-34(22-20-33)23-24-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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n/an/a 692n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235733
PNG
(CHEMBL4101722)
Show SMILES C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C29H32N6/c1-4-11-25(12-5-1)13-10-18-33-19-21-34(22-20-33)23-24-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
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n/an/a 940n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cells


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235723
PNG
(CHEMBL4082902)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25F2N3O/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)30-18-17-28-13-15-29(16-14-28)23-3-1-2-12-27-23/h1-12,24H,13-18H2
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n/an/a 990n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50051985
PNG
(CHEMBL288826 | N-[3-(4-Benzyl-piperidin-1-yl)-prop...)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c32-29(28(26-13-6-2-7-14-26)27-15-8-3-9-16-27)30-19-10-20-31-21-17-25(18-22-31)23-24-11-4-1-5-12-24/h1-9,11-16,25,28H,10,17-23H2,(H,30,32)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235724
PNG
(CHEMBL4099773)
Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N6/c1-4-11-25(12-5-1)17-20-34-23-21-33(22-24-34)18-10-19-35-29(30-31-32-35)28(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2
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n/an/a 1.12E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235724
PNG
(CHEMBL4099773)
Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N6/c1-4-11-25(12-5-1)17-20-34-23-21-33(22-24-34)18-10-19-35-29(30-31-32-35)28(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2
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n/an/a 1.12E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235711
PNG
(CHEMBL4064805)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClF2N2O/c26-23-3-1-2-4-24(23)30-15-13-29(14-16-30)17-18-31-25(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h1-12,25H,13-18H2
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n/an/a 1.26E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235712
PNG
(CHEMBL4086279)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClF2N2O/c26-21-2-1-3-24(18-21)30-14-12-29(13-15-30)16-17-31-25(19-4-8-22(27)9-5-19)20-6-10-23(28)11-7-20/h1-11,18,25H,12-17H2
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n/an/a 1.31E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235715
PNG
(CHEMBL4101780)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2F2N2O/c26-23-10-9-22(17-24(23)27)31-13-11-30(12-14-31)15-16-32-25(18-1-5-20(28)6-2-18)19-3-7-21(29)8-4-19/h1-10,17,25H,11-16H2
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n/an/a 1.32E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235732
PNG
(CHEMBL4060900)
Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N6/c1-4-12-26(13-5-1)14-10-19-34-22-24-35(25-23-34)20-11-21-36-30(31-32-33-36)29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-10,12-18,29H,11,19-25H2/b14-10+
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n/an/a 1.33E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235728
PNG
(CHEMBL3612830)
Show SMILES Clc1ccc(cc1)C(C(=O)NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H32Cl2N2O/c30-26-11-7-24(8-12-26)28(25-9-13-27(31)14-10-25)29(34)32-17-4-18-33-19-15-23(16-20-33)21-22-5-2-1-3-6-22/h1-3,5-14,23,28H,4,15-21H2,(H,32,34)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235713
PNG
(CHEMBL4091567)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClF2N2O/c26-21-5-11-24(12-6-21)30-15-13-29(14-16-30)17-18-31-25(19-1-7-22(27)8-2-19)20-3-9-23(28)10-4-20/h1-12,25H,13-18H2
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n/an/a 1.39E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235716
PNG
(CHEMBL4105112)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
Show InChI InChI=1S/C23H24F2N4O/c24-20-6-2-18(3-7-20)22(19-4-8-21(25)9-5-19)30-17-16-28-12-14-29(15-13-28)23-26-10-1-11-27-23/h1-11,22H,12-17H2
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n/an/a 1.41E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235726
PNG
(CHEMBL4091502)
Show SMILES C(CN1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H34N6/c1-4-11-25(12-5-1)13-10-18-33-19-21-34(22-20-33)23-24-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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n/an/a 1.47E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235735
PNG
(CHEMBL4103183)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H34N6/c1-4-12-25(13-5-1)24-34-22-20-33(21-23-34)18-10-11-19-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,12-17,28H,10-11,18-24H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235719
PNG
(CHEMBL4100713)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H35N5/c1-4-12-25(13-5-1)24-26-18-22-34(23-19-26)20-10-11-21-35-30(31-32-33-35)29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,26,29H,10-11,18-24H2
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n/an/a 1.53E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235713
PNG
(CHEMBL4091567)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClF2N2O/c26-21-5-11-24(12-6-21)30-15-13-29(14-16-30)17-18-31-25(19-1-7-22(27)8-2-19)20-3-9-23(28)10-4-20/h1-12,25H,13-18H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235716
PNG
(CHEMBL4105112)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
Show InChI InChI=1S/C23H24F2N4O/c24-20-6-2-18(3-7-20)22(19-4-8-21(25)9-5-19)30-17-16-28-12-14-29(15-13-28)23-26-10-1-11-27-23/h1-11,22H,12-17H2
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n/an/a 1.62E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235727
PNG
(CHEMBL4063684)
Show SMILES C(CN1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C30H36N6/c1-4-12-26(13-5-1)14-10-19-34-22-24-35(25-23-34)20-11-21-36-30(31-32-33-36)29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-9,12-13,15-18,29H,10-11,14,19-25H2
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n/an/a 1.64E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235709
PNG
(CHEMBL4073400)
Show SMILES Fc1ccc(cc1)C(OCCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H29F2NO/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)31-19-18-30-16-14-22(15-17-30)20-21-4-2-1-3-5-21/h1-13,22,27H,14-20H2
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n/an/a 1.67E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235730
PNG
(CHEMBL3613151)
Show SMILES O=C(NCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c31-28(27(25-12-6-2-7-13-25)26-14-8-3-9-15-26)29-18-21-30-19-16-24(17-20-30)22-23-10-4-1-5-11-23/h1-15,24,27H,16-22H2,(H,29,31)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235716
PNG
(CHEMBL4105112)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
Show InChI InChI=1S/C23H24F2N4O/c24-20-6-2-18(3-7-20)22(19-4-8-21(25)9-5-19)30-17-16-28-12-14-29(15-13-28)23-26-10-1-11-27-23/h1-11,22H,12-17H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235717
PNG
(CHEMBL4092998)
Show SMILES C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31N5/c1-4-10-23(11-5-1)22-24-16-18-32(19-17-24)20-21-33-28(29-30-31-33)27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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n/an/a 1.71E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235733
PNG
(CHEMBL4101722)
Show SMILES C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C29H32N6/c1-4-11-25(12-5-1)13-10-18-33-19-21-34(22-20-33)23-24-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
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n/an/a 1.76E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235710
PNG
(CHEMBL4094047)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N2O/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)30-19-18-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13,25H,14-19H2
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n/an/a 1.91E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235728
PNG
(CHEMBL3612830)
Show SMILES Clc1ccc(cc1)C(C(=O)NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H32Cl2N2O/c30-26-11-7-24(8-12-26)28(25-9-13-27(31)14-10-25)29(34)32-17-4-18-33-19-15-23(16-20-33)21-22-5-2-1-3-6-22/h1-3,5-14,23,28H,4,15-21H2,(H,32,34)
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n/an/a 2.02E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50051985
PNG
(CHEMBL288826 | N-[3-(4-Benzyl-piperidin-1-yl)-prop...)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c32-29(28(26-13-6-2-7-14-26)27-15-8-3-9-16-27)30-19-10-20-31-21-17-25(18-22-31)23-24-11-4-1-5-12-24/h1-9,11-16,25,28H,10,17-23H2,(H,30,32)
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n/an/a 2.21E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235732
PNG
(CHEMBL4060900)
Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N6/c1-4-12-26(13-5-1)14-10-19-34-22-24-35(25-23-34)20-11-21-36-30(31-32-33-36)29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-10,12-18,29H,11,19-25H2/b14-10+
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n/an/a 2.23E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235722
PNG
(CHEMBL4095430)
Show SMILES C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N6/c1-4-10-23(11-5-1)22-32-18-16-31(17-19-32)20-21-33-27(28-29-30-33)26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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n/an/a 2.29E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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n/an/a 2.55E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235712
PNG
(CHEMBL4086279)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClF2N2O/c26-21-2-1-3-24(18-21)30-14-12-29(13-15-30)16-17-31-25(19-4-8-22(27)9-5-19)20-6-10-23(28)11-7-20/h1-11,18,25H,12-17H2
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n/an/a 2.75E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235720
PNG
(CHEMBL4085259)
Show SMILES C(Cc1ccccc1)N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H32N6/c1-4-10-24(11-5-1)16-17-32-18-20-33(21-19-32)22-23-34-28(29-30-31-34)27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2
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n/an/a 2.83E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235721
PNG
(CHEMBL4063764)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2F2N2O/c26-22-2-1-3-23(24(22)27)31-14-12-30(13-15-31)16-17-32-25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h1-11,25H,12-17H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235721
PNG
(CHEMBL4063764)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2F2N2O/c26-22-2-1-3-23(24(22)27)31-14-12-30(13-15-31)16-17-32-25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h1-11,25H,12-17H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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n/an/a 3.24E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235731
PNG
(CHEMBL4082767)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C31H36N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-19,30H,10-11,20-26H2/b15-12+
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n/an/a 3.64E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235714
PNG
(CHEMBL4083782)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2F2N2O/c26-20-5-10-24(23(27)17-20)31-13-11-30(12-14-31)15-16-32-25(18-1-6-21(28)7-2-18)19-3-8-22(29)9-4-19/h1-10,17,25H,11-16H2
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n/an/a 3.75E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235726
PNG
(CHEMBL4091502)
Show SMILES C(CN1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H34N6/c1-4-11-25(12-5-1)13-10-18-33-19-21-34(22-20-33)23-24-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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n/an/a 3.86E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235714
PNG
(CHEMBL4083782)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2F2N2O/c26-20-5-10-24(23(27)17-20)31-13-11-30(12-14-31)15-16-32-25(18-1-6-21(28)7-2-18)19-3-8-22(29)9-4-19/h1-10,17,25H,11-16H2
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n/an/a 3.91E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235715
PNG
(CHEMBL4101780)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2F2N2O/c26-23-10-9-22(17-24(23)27)31-13-11-30(12-14-31)15-16-32-25(18-1-5-20(28)6-2-18)19-3-7-21(29)8-4-19/h1-10,17,25H,11-16H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235722
PNG
(CHEMBL4095430)
Show SMILES C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N6/c1-4-10-23(11-5-1)22-32-18-16-31(17-19-32)20-21-33-27(28-29-30-33)26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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n/an/a 4.22E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235720
PNG
(CHEMBL4085259)
Show SMILES C(Cc1ccccc1)N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H32N6/c1-4-10-24(11-5-1)16-17-32-18-20-33(21-19-32)22-23-34-28(29-30-31-34)27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2
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n/an/a 4.83E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235712
PNG
(CHEMBL4086279)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClF2N2O/c26-21-2-1-3-24(18-21)30-14-12-29(13-15-30)16-17-31-25(19-4-8-22(27)9-5-19)20-6-10-23(28)11-7-20/h1-11,18,25H,12-17H2
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n/an/a 4.96E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235721
PNG
(CHEMBL4063764)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2F2N2O/c26-22-2-1-3-23(24(22)27)31-14-12-30(13-15-31)16-17-32-25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h1-11,25H,12-17H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235736
PNG
(CHEMBL4074999)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N6/c1-4-11-24(12-5-1)23-33-21-19-32(20-22-33)17-10-18-34-28(29-30-31-34)27(25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16,27H,10,17-23H2
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n/an/a 5.05E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235715
PNG
(CHEMBL4101780)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2F2N2O/c26-23-10-9-22(17-24(23)27)31-13-11-30(12-14-31)15-16-32-25(18-1-5-20(28)6-2-18)19-3-7-21(29)8-4-19/h1-10,17,25H,11-16H2
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n/an/a 5.22E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235710
PNG
(CHEMBL4094047)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N2O/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)30-19-18-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13,25H,14-19H2
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n/an/a 5.33E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235711
PNG
(CHEMBL4064805)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClF2N2O/c26-23-3-1-2-4-24(23)30-15-13-29(14-16-30)17-18-31-25(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h1-12,25H,13-18H2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235709
PNG
(CHEMBL4073400)
Show SMILES Fc1ccc(cc1)C(OCCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H29F2NO/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)31-19-18-30-16-14-22(15-17-30)20-21-4-2-1-3-5-21/h1-13,22,27H,14-20H2
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n/an/a 5.86E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235731
PNG
(CHEMBL4082767)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C31H36N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-19,30H,10-11,20-26H2/b15-12+
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n/an/a 6.29E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235709
PNG
(CHEMBL4073400)
Show SMILES Fc1ccc(cc1)C(OCCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H29F2NO/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)31-19-18-30-16-14-22(15-17-30)20-21-4-2-1-3-5-21/h1-13,22,27H,14-20H2
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n/an/a 6.82E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235713
PNG
(CHEMBL4091567)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClF2N2O/c26-21-5-11-24(12-6-21)30-15-13-29(14-16-30)17-18-31-25(19-1-7-22(27)8-2-19)20-3-9-23(28)10-4-20/h1-12,25H,13-18H2
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n/an/a 6.91E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235732
PNG
(CHEMBL4060900)
Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N6/c1-4-12-26(13-5-1)14-10-19-34-22-24-35(25-23-34)20-11-21-36-30(31-32-33-36)29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-10,12-18,29H,11,19-25H2/b14-10+
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n/an/a 7.50E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235728
PNG
(CHEMBL3612830)
Show SMILES Clc1ccc(cc1)C(C(=O)NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H32Cl2N2O/c30-26-11-7-24(8-12-26)28(25-9-13-27(31)14-10-25)29(34)32-17-4-18-33-19-15-23(16-20-33)21-22-5-2-1-3-6-22/h1-3,5-14,23,28H,4,15-21H2,(H,32,34)
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n/an/a 7.67E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235717
PNG
(CHEMBL4092998)
Show SMILES C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31N5/c1-4-10-23(11-5-1)22-24-16-18-32(19-17-24)20-21-33-28(29-30-31-33)27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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n/an/a 7.70E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235725
PNG
(CHEMBL4081753)
Show SMILES C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C30H36N6/c1-4-12-26(13-5-1)18-21-35-24-22-34(23-25-35)19-10-11-20-36-30(31-32-33-36)29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,29H,10-11,18-25H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235727
PNG
(CHEMBL4063684)
Show SMILES C(CN1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C30H36N6/c1-4-12-26(13-5-1)14-10-19-34-22-24-35(25-23-34)20-11-21-36-30(31-32-33-36)29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-9,12-13,15-18,29H,10-11,14,19-25H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50235729
PNG
(CHEMBL3613152)
Show SMILES Clc1ccc(cc1)C(C(=O)NCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H30Cl2N2O/c29-25-10-6-23(7-11-25)27(24-8-12-26(30)13-9-24)28(33)31-16-19-32-17-14-22(15-18-32)20-21-4-2-1-3-5-21/h1-13,22,27H,14-20H2,(H,31,33)
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n/an/a 8.03E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235729
PNG
(CHEMBL3613152)
Show SMILES Clc1ccc(cc1)C(C(=O)NCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H30Cl2N2O/c29-25-10-6-23(7-11-25)27(24-8-12-26(30)13-9-24)28(33)31-16-19-32-17-14-22(15-18-32)20-21-4-2-1-3-5-21/h1-13,22,27H,14-20H2,(H,31,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235733
PNG
(CHEMBL4101722)
Show SMILES C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C29H32N6/c1-4-11-25(12-5-1)13-10-18-33-19-21-34(22-20-33)23-24-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
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Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235718
PNG
(CHEMBL4073939)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N5/c1-4-11-24(12-5-1)23-25-17-21-33(22-18-25)19-10-20-34-29(30-31-32-34)28(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,25,28H,10,17-23H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235730
PNG
(CHEMBL3613151)
Show SMILES O=C(NCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c31-28(27(25-12-6-2-7-13-25)26-14-8-3-9-15-26)29-18-21-30-19-16-24(17-20-30)22-23-10-4-1-5-11-23/h1-15,24,27H,16-22H2,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235711
PNG
(CHEMBL4064805)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClF2N2O/c26-23-3-1-2-4-24(23)30-15-13-29(14-16-30)17-18-31-25(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h1-12,25H,13-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235714
PNG
(CHEMBL4083782)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2F2N2O/c26-20-5-10-24(23(27)17-20)31-13-11-30(12-14-31)15-16-32-25(18-1-6-21(28)7-2-18)19-3-8-22(29)9-4-19/h1-10,17,25H,11-16H2
NCI pathway
Reactome pathway
KEGG

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n/an/a 1.00E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50051985
PNG
(CHEMBL288826 | N-[3-(4-Benzyl-piperidin-1-yl)-prop...)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c32-29(28(26-13-6-2-7-14-26)27-15-8-3-9-16-27)30-19-10-20-31-21-17-25(18-22-31)23-24-11-4-1-5-12-24/h1-9,11-16,25,28H,10,17-23H2,(H,30,32)
PDB

KEGG

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n/an/a>1.00E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235710
PNG
(CHEMBL4094047)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N2O/c26-22-10-6-20(7-11-22)25(21-8-12-23(27)13-9-21)30-19-18-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13,25H,14-19H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50235722
PNG
(CHEMBL4095430)
Show SMILES C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N6/c1-4-10-23(11-5-1)22-32-18-16-31(17-19-32)20-21-33-27(28-29-30-33)26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%