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Compile Data Set for Download or QSAR

Found 27 hits of kd data for polymerid = 2253,2273,49000128   
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


(Rattus norvegicus (rat))
BDBM50010589
PNG
(6,7-Dihydro-5H-indeno[5,6-d][1,3]dioxol-6-ylamine ...)
Show SMILES NC1Cc2cc3OCOc3cc2C1
Show InChI InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2
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n/an/an/a 0.104n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards serotonin uptake site in presence of [3H]-paroxetine radioligand in rat brain cortical homogenate


J Med Chem 33: 703-10 (1990)


Article DOI: 10.1021/jm00164a037
BindingDB Entry DOI: 10.7270/Q26W992G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50010589
PNG
(6,7-Dihydro-5H-indeno[5,6-d][1,3]dioxol-6-ylamine ...)
Show SMILES NC1Cc2cc3OCOc3cc2C1
Show InChI InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2
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n/an/an/a 0.127n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards serotonin uptake site in presence of [3H]-paroxetine radioligand in rat hippocampal homogenate


J Med Chem 33: 703-10 (1990)


Article DOI: 10.1021/jm00164a037
BindingDB Entry DOI: 10.7270/Q26W992G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/an/a 0.130n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/an/a 0.150n/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
The potency of the [3H]paroxetine for 5-HT transporters


J Med Chem 37: 1262-8 (1994)


Article DOI: 10.1021/jm00035a005
BindingDB Entry DOI: 10.7270/Q2TH8NBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50028094
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
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n/an/an/a 0.290n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/an/a 0.810n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
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n/an/an/a 0.880n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [125I]beta-CIT from human SERT in human platelet plasma membrane


J Biol Chem 282: 29441-7 (2007)


Article DOI: 10.1074/jbc.M704456200
BindingDB Entry DOI: 10.7270/Q2125SG9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069449
PNG
((2R,3R)-1-Dimethylamino-4,4-dimethyl-2-naphthalen-...)
Show SMILES CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H27NO/c1-19(2,3)18(21)17(13-20(4)5)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17-18,21H,13H2,1-5H3/t17-,18+/m0/s1
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n/an/an/a 1.20n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302225
PNG
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)
Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
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n/an/an/a 2.60n/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to human SERT expressed in African green monkey COS7 cells after 2 hrs by scintillation counting analysis


ACS Med Chem Lett 5: 696-9 (2014)


Article DOI: 10.1021/ml5000806
BindingDB Entry DOI: 10.7270/Q2XW4MCV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
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n/an/an/a 2.82n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [125I]beta-CIT from human SERT in human platelet membrane in presence of 5 uM ibogaine


J Biol Chem 282: 29441-7 (2007)


Article DOI: 10.1074/jbc.M704456200
BindingDB Entry DOI: 10.7270/Q2125SG9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069453
PNG
((1R,2R)-3-Dimethylamino-2-naphthalen-2-yl-1-phenyl...)
Show SMILES CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H23NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-21,23H,15H2,1-2H3/t20-,21-/m0/s1
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n/an/an/a 5.60n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069442
PNG
((2R,3R)-1-Amino-4,4-dimethyl-2-naphthalen-2-yl-pen...)
Show SMILES CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H23NO/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15-16,19H,11,18H2,1-3H3/t15-,16+/m0/s1
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n/an/an/a 6.10n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069448
PNG
((1R,2R)-3-Amino-2-naphthalen-2-yl-1-phenyl-propan-...)
Show SMILES NC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19NO/c20-13-18(19(21)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,21H,13,20H2/t18-,19-/m0/s1
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n/an/an/a 6.20n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069452
PNG
((1R,2R)-3-Dimethylamino-2-phenyl-1-(2,4,6-trimethy...)
Show SMILES CN(C)C[C@H]([C@@H](O)c1c(C)cc(C)cc1C)c1ccccc1
Show InChI InChI=1S/C20H27NO/c1-14-11-15(2)19(16(3)12-14)20(22)18(13-21(4)5)17-9-7-6-8-10-17/h6-12,18,20,22H,13H2,1-5H3/t18-,20+/m0/s1
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n/an/an/a 8.5n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/an/a 8.90n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
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/an/a 8.90n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069446
PNG
((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...)
Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1
Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1
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n/an/an/a 30n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069450
PNG
((2R,3R)-1-Dimethylamino-4,4-dimethyl-2-phenyl-pent...)
Show SMILES CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C15H25NO/c1-15(2,3)14(17)13(11-16(4)5)12-9-7-6-8-10-12/h6-10,13-14,17H,11H2,1-5H3/t13-,14+/m0/s1
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n/an/an/a 40n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069445
PNG
((1R,2R)-3-Dimethylamino-1,2-diphenyl-propan-1-ol; ...)
Show SMILES CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1
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n/an/an/a 48n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter -hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50121451
PNG
(5-Methyl-6-nitro-2-piperazin-1-yl-quinoline | CHEM...)
Show SMILES Cc1c(ccc2nc(ccc12)N1CCNCC1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N4O2/c1-10-11-2-5-14(17-8-6-15-7-9-17)16-12(11)3-4-13(10)18(19)20/h2-5,15H,6-9H2,1H3
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n/an/an/a 51n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity of the radio labeled [3H]-5-Methyl-6-nitroquipazine compound against Serotonin transporter in rat frontal cortex homogenates


Bioorg Med Chem Lett 12: 3611-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00787-4
BindingDB Entry DOI: 10.7270/Q2639P40
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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n/an/an/a 51n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity of the radio labeled [3H]-5-Methyl-6-nitroquipazine compound against Serotonin transporter in rat frontal cortex homogenates


Bioorg Med Chem Lett 12: 3611-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00787-4
BindingDB Entry DOI: 10.7270/Q2639P40
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069454
PNG
((1S,2R)-3-Amino-1-cyclohexyl-2-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)[C@H](CN)[C@@H](O)C1CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-19-14-9-7-12(8-10-14)15(11-17)16(18)13-5-3-2-4-6-13/h7-10,13,15-16,18H,2-6,11,17H2,1H3/t15-,16-/m0/s1
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n/an/an/a 76n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069444
PNG
((1R,2R)-3-Amino-2-phenyl-1-(2,4,6-trimethyl-phenyl...)
Show SMILES Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1
Show InChI InChI=1S/C18H23NO/c1-12-9-13(2)17(14(3)10-12)18(20)16(11-19)15-7-5-4-6-8-15/h4-10,16,18,20H,11,19H2,1-3H3/t16-,18+/m0/s1
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n/an/an/a 118n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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n/an/an/a 200n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069451
PNG
((2R,3R)-1-Amino-4,4-dimethyl-2-phenyl-pentan-3-ol;...)
Show SMILES CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1
Show InChI InChI=1S/C13H21NO/c1-13(2,3)12(15)11(9-14)10-7-5-4-6-8-10/h4-8,11-12,15H,9,14H2,1-3H3/t11-,12+/m0/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50069443
PNG
((1R,2R)-3-Amino-1,2-diphenyl-propan-1-ol; hydrochl...)
Show SMILES NC[C@H]([C@@H](O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H17NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14-15,17H,11,16H2/t14-,15-/m0/s1
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n/an/an/a 3.05E+3n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50025691
PNG
(2-(2-Ethoxy-phenoxymethyl)-morpholine | 2-(2-Ethox...)
Show SMILES CCOc1ccccc1OCC1CNCCO1
Show InChI InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3
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n/an/an/a 1.73E+4n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair