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Compile Data Set for Download or QSAR

Found 215 hits from Drew University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
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0.900n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50055017
PNG
(7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...)
Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2
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1.05n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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1.70n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [125I]- RTI-55 binding at the Dopamine transporter site on HEK cells expressing cDNA for the human transporter (hDAT)


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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1.70n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118294
PNG
(7-(4-Chloro-phenyl)-7,8,9,10-tetrahydro-7a,11-diaz...)
Show SMILES OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c22-16-9-7-15(8-10-16)21(25)18-11-6-14-4-1-2-5-17(14)19(18)20-23-12-3-13-24(20)21/h1-2,4-11,25H,3,12-13H2
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2.01n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50118291
PNG
(5-Naphthalen-2-yl-2,5-dihydro-3H-imidazo[2,1-a]iso...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20(16-10-9-14-5-1-2-6-15(14)13-16)18-8-4-3-7-17(18)19-21-11-12-22(19)20/h1-10,13,23H,11-12H2
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2.30n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118266
PNG
(9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2
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2.55n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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2.83n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118265
PNG
(5-(4-Chloro-phenyl)-9-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)16-19-9-10-20(16)17(13,21)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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5.20n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118294
PNG
(7-(4-Chloro-phenyl)-7,8,9,10-tetrahydro-7a,11-diaz...)
Show SMILES OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c22-16-9-7-15(8-10-16)21(25)18-11-6-14-4-1-2-5-17(14)19(18)20-23-12-3-13-24(20)21/h1-2,4-11,25H,3,12-13H2
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5.30n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50118294
PNG
(7-(4-Chloro-phenyl)-7,8,9,10-tetrahydro-7a,11-diaz...)
Show SMILES OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c22-16-9-7-15(8-10-16)21(25)18-11-6-14-4-1-2-5-17(14)19(18)20-23-12-3-13-24(20)21/h1-2,4-11,25H,3,12-13H2
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5.5n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
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6n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118265
PNG
(5-(4-Chloro-phenyl)-9-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)16-19-9-10-20(16)17(13,21)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118266
PNG
(9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2
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8.80n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [125I]- RTI-55 binding at the Norepinephrine transporter site on HEK cells expressing cDNA for the human transporter (hNET)


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118268
PNG
(5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3
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10.3n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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11n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118291
PNG
(5-Naphthalen-2-yl-2,5-dihydro-3H-imidazo[2,1-a]iso...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20(16-10-9-14-5-1-2-6-15(14)13-16)18-8-4-3-7-17(18)19-21-11-12-22(19)20/h1-10,13,23H,11-12H2
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11n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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18n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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18n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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18n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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18n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
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23n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118269
PNG
(5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]i...)
Show SMILES Clc1ccc(cc1)C1N2CCN=C2c2ccccc12
Show InChI InChI=1S/C16H13ClN2/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16-18-9-10-19(15)16/h1-8,15H,9-10H2
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23n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
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23.1n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118268
PNG
(5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3
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23.1n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50118266
PNG
(9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2
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25.6n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50118269
PNG
(5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]i...)
Show SMILES Clc1ccc(cc1)C1N2CCN=C2c2ccccc12
Show InChI InChI=1S/C16H13ClN2/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16-18-9-10-19(15)16/h1-8,15H,9-10H2
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26n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118293
PNG
(7-(4-Chloro-phenyl)-8,9-dihydro-7H-7a,10-diaza-pen...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)17-10-5-13-3-1-2-4-16(13)18(17)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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27.2n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118293
PNG
(7-(4-Chloro-phenyl)-8,9-dihydro-7H-7a,10-diaza-pen...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)17-10-5-13-3-1-2-4-16(13)18(17)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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33.4n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118262
PNG
(9-(4-Methoxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...)
Show SMILES COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12
Show InChI InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18(21)16-6-3-2-5-15(16)17-19-11-4-12-20(17)18/h2-3,5-10,21H,4,11-12H2,1H3
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36.2n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
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38.1n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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39n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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39n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50055017
PNG
(7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...)
Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2
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40n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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45n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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45n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118291
PNG
(5-Naphthalen-2-yl-2,5-dihydro-3H-imidazo[2,1-a]iso...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20(16-10-9-14-5-1-2-6-15(14)13-16)18-8-4-3-7-17(18)19-21-11-12-22(19)20/h1-10,13,23H,11-12H2
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45n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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50n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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50n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50118262
PNG
(9-(4-Methoxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...)
Show SMILES COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12
Show InChI InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18(21)16-6-3-2-5-15(16)17-19-11-4-12-20(17)18/h2-3,5-10,21H,4,11-12H2,1H3
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55.9n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50118260
PNG
(9-(4-Hydroxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...)
Show SMILES Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c20-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-18-10-3-11-19(16)17/h1-2,4-9,20-21H,3,10-11H2
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77n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118262
PNG
(9-(4-Methoxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...)
Show SMILES COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12
Show InChI InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18(21)16-6-3-2-5-15(16)17-19-11-4-12-20(17)18/h2-3,5-10,21H,4,11-12H2,1H3
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84n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118260
PNG
(9-(4-Hydroxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...)
Show SMILES Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c20-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-18-10-3-11-19(16)17/h1-2,4-9,20-21H,3,10-11H2
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87.1n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50055019
PNG
(5-Phenyl-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-o...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H14N2O/c19-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15-17-10-11-18(15)16/h1-9,19H,10-11H2
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100n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118295
PNG
(11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...)
Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1
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152n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118269
PNG
(5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]i...)
Show SMILES Clc1ccc(cc1)C1N2CCN=C2c2ccccc12
Show InChI InChI=1S/C16H13ClN2/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16-18-9-10-19(15)16/h1-8,15H,9-10H2
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170n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50118293
PNG
(7-(4-Chloro-phenyl)-8,9-dihydro-7H-7a,10-diaza-pen...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)17-10-5-13-3-1-2-4-16(13)18(17)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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224n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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328n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118260
PNG
(9-(4-Hydroxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...)
Show SMILES Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c20-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-18-10-3-11-19(16)17/h1-2,4-9,20-21H,3,10-11H2
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380n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
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