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Compile Data Set for Download or QSAR

Found 152 hits from Acenta Discovery, Inc.   
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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156056
PNG
(CHEMBL188143 | [4-(4-Chloro-phenyl)-piperidin-3-yl...)
Show SMILES COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2S/c1-19-15(18)10-20-9-12-8-17-7-6-14(12)11-2-4-13(16)5-3-11/h2-5,12,14,17H,6-10H2,1H3
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0.560n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156052
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3
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0.680n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156036
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)
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0.800n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156042
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CSCCO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNOS/c1-17-7-6-15(12-2-4-14(16)5-3-12)13(10-17)11-19-9-8-18/h2-5,13,15,18H,6-11H2,1H3
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0.940n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156036
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)
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1n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50156036
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)
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1.10n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the serotonin transporter (5-HT) from rat synaptosomal nerve endings by using [3H]5-HT as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156037
PNG
(Acetic acid 2-[4-(4-chloro-phenyl)-1-methyl-piperi...)
Show SMILES CN1CCC(C(CSCCOC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClNO2S/c1-13(20)21-9-10-22-12-15-11-19(2)8-7-17(15)14-3-5-16(18)6-4-14/h3-6,15,17H,7-12H2,1-2H3
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3.60n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50156052
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the serotonin transporter (5-HT) from rat synaptosomal nerve endings by using [3H]5-HT as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156032
PNG
(Benzoic acid 2-[4-(4-chloro-phenyl)-1-methyl-piper...)
Show SMILES CN1CCC(C(CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClNO2S/c1-24-12-11-21(17-7-9-20(23)10-8-17)19(15-24)16-27-14-13-26-22(25)18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50166332
PNG
(9-[1-(3'-Fluoro-biphenyl-4-yl)-meth-(Z)-ylidene]-7...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(F)c1
Show InChI InChI=1S/C24H24FNO2/c1-28-24(27)23-21-13-20-9-10-22(23)26(20)14-18(21)11-15-5-7-16(8-6-15)17-3-2-4-19(25)12-17/h2-8,11-12,20-23H,9-10,13-14H2,1H3/b18-11+
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5n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50166328
PNG
(9-[3-(2,6-Difluoro-phenyl)-prop-2-yn-(Z)-ylidene]-...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1c(F)cccc1F
Show InChI InChI=1S/C20H19F2NO2/c1-25-20(24)19-15-10-13-8-9-18(19)23(13)11-12(15)4-2-5-14-16(21)6-3-7-17(14)22/h3-4,6-7,13,15,18-19H,8-11H2,1H3/b12-4+
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5.30n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50166336
PNG
(9-[1-[2,3']Bithiophenyl-5-yl-meth-(Z)-ylidene]-7-a...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccsc1
Show InChI InChI=1S/C20H21NO2S2/c1-23-20(22)19-16-9-14-2-4-17(19)21(14)10-13(16)8-15-3-5-18(25-15)12-6-7-24-11-12/h3,5-8,11,14,16-17,19H,2,4,9-10H2,1H3/b13-8+
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5.90n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156057
PNG
(4-(4-Chloro-phenyl)-3-(2-methoxy-ethylsulfanylmeth...)
Show SMILES COCCSCC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClNOS/c1-18-8-7-16(13-3-5-15(17)6-4-13)14(11-18)12-20-10-9-19-2/h3-6,14,16H,7-12H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50166339
PNG
(9-[1-(2'-Methoxy-biphenyl-4-yl)-meth-(Z)-ylidene]-...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccccc1OC
Show InChI InChI=1S/C25H27NO3/c1-28-23-6-4-3-5-20(23)17-9-7-16(8-10-17)13-18-15-26-19-11-12-22(26)24(21(18)14-19)25(27)29-2/h3-10,13,19,21-22,24H,11-12,14-15H2,1-2H3/b18-13+
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6.5n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50156032
PNG
(Benzoic acid 2-[4-(4-chloro-phenyl)-1-methyl-piper...)
Show SMILES CN1CCC(C(CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClNO2S/c1-24-12-11-21(17-7-9-20(23)10-8-17)19(15-24)16-27-14-13-26-22(25)18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3
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6.70n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the serotonin transporter (5-HT) from rat synaptosomal nerve endings by using [3H]5-HT as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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7.36n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50166333
PNG
(9-[1-(3'-Trifluoromethyl-biphenyl-4-yl)-meth-(Z)-y...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3NO2/c1-31-24(30)23-21-13-20-9-10-22(23)29(20)14-18(21)11-15-5-7-16(8-6-15)17-3-2-4-19(12-17)25(26,27)28/h2-8,11-12,20-23H,9-10,13-14H2,1H3/b18-11+
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8.80n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156031
PNG
(Acetic acid 2-[4-(4-chloro-phenyl)-1-methyl-piperi...)
Show SMILES CN1CCC(C(CS(=O)CCOC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClNO3S/c1-13(20)22-9-10-23(21)12-15-11-19(2)8-7-17(15)14-3-5-16(18)6-4-14/h3-6,15,17H,7-12H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50166334
PNG
(9-[1-(3'-Methoxy-biphenyl-4-yl)-meth-(Z)-ylidene]-...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(OC)c1
Show InChI InChI=1S/C25H27NO3/c1-28-21-5-3-4-18(13-21)17-8-6-16(7-9-17)12-19-15-26-20-10-11-23(26)24(22(19)14-20)25(27)29-2/h3-9,12-13,20,22-24H,10-11,14-15H2,1-2H3/b19-12+
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9.40n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156051
PNG
(2-[4-(4-Chloro-phenyl)-piperidin-3-ylmethylsulfany...)
Show SMILES NC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2OS/c15-12-3-1-10(2-4-12)13-5-6-17-7-11(13)8-19-9-14(16)18/h1-4,11,13,17H,5-9H2,(H2,16,18)
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10n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156054
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CS(=O)CC(=O)NO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H21ClN2O3S/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-22(21)10-15(19)17-20/h2-5,12,14,20H,6-10H2,1H3,(H,17,19)
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12n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156039
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CS(=O)CCO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNO2S/c1-17-7-6-15(12-2-4-14(16)5-3-12)13(10-17)11-20(19)9-8-18/h2-5,13,15,18H,6-11H2,1H3
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12n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50156056
PNG
(CHEMBL188143 | [4-(4-Chloro-phenyl)-piperidin-3-yl...)
Show SMILES COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2S/c1-19-15(18)10-20-9-12-8-17-7-6-14(12)11-2-4-13(16)5-3-11/h2-5,12,14,17H,6-10H2,1H3
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13n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the serotonin transporter (5-HT) from rat synaptosomal nerve endings by using [3H]5-HT as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156043
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CNC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H23ClN2OS/c1-18-16(20)11-21-10-13-9-19(2)8-7-15(13)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11H2,1-2H3,(H,18,20)
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13n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156045
PNG
(4-(4-Chloro-phenyl)-3-(2-methoxy-ethanesulfinylmet...)
Show SMILES COCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClNO2S/c1-18-8-7-16(13-3-5-15(17)6-4-13)14(11-18)12-21(19)10-9-20-2/h3-6,14,16H,7-12H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156053
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CSCC(=O)NO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H21ClN2O2S/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-21-10-15(19)17-20/h2-5,12,14,20H,6-10H2,1H3,(H,17,19)
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15n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156042
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CSCCO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNOS/c1-17-7-6-15(12-2-4-14(16)5-3-12)13(10-17)11-19-9-8-18/h2-5,13,15,18H,6-11H2,1H3
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16n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50166341
PNG
(9-[3-(4-Fluoro-phenyl)-prop-2-yn-(Z)-ylidene]-7-az...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO2/c1-24-20(23)19-17-11-16-9-10-18(19)22(16)12-14(17)4-2-3-13-5-7-15(21)8-6-13/h4-8,16-19H,9-12H2,1H3/b14-4+
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17n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-5-HT at serotonin transporter of rat midbrain cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156040
PNG
(Benzoic acid 2-[4-(4-chloro-phenyl)-1-methyl-piper...)
Show SMILES CN1CCC(C(CS(=O)CCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClNO3S/c1-24-12-11-21(17-7-9-20(23)10-8-17)19(15-24)16-28(26)14-13-27-22(25)18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3
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18n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156048
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CC(C)NC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C18H27ClN2O2S/c1-13(2)20-18(22)12-24(23)11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)
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20n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50166329
PNG
(9-[3-Thiophen-3-yl-prop-2-yn-(Z)-ylidene]-7-aza-tr...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccsc1
Show InChI InChI=1S/C18H19NO2S/c1-21-18(20)17-15-9-14-5-6-16(17)19(14)10-13(15)4-2-3-12-7-8-22-11-12/h4,7-8,11,14-17H,5-6,9-10H2,1H3/b13-4+
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22n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant for [3H]-NE reuptake at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156043
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CNC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H23ClN2OS/c1-18-16(20)11-21-10-13-9-19(2)8-7-15(13)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11H2,1-2H3,(H,18,20)
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25n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156045
PNG
(4-(4-Chloro-phenyl)-3-(2-methoxy-ethanesulfinylmet...)
Show SMILES COCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClNO2S/c1-18-8-7-16(13-3-5-15(17)6-4-13)14(11-18)12-21(19)10-9-20-2/h3-6,14,16H,7-12H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156058
PNG
(CHEMBL372709 | [4-(4-Chloro-phenyl)-1-methyl-piper...)
Show SMILES COC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H22ClNO2S/c1-18-8-7-15(12-3-5-14(17)6-4-12)13(9-18)10-21-11-16(19)20-2/h3-6,13,15H,7-11H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156034
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN(C)C(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3
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27n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156031
PNG
(Acetic acid 2-[4-(4-chloro-phenyl)-1-methyl-piperi...)
Show SMILES CN1CCC(C(CS(=O)CCOC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClNO3S/c1-13(20)22-9-10-23(21)12-15-11-19(2)8-7-17(15)14-3-5-16(18)6-4-14/h3-6,15,17H,7-12H2,1-2H3
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29n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156038
PNG
(2-[4-(4-Chloro-phenyl)-piperidin-3-ylmethanesulfin...)
Show SMILES NC(=O)CS(=O)CC1CNCCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2O2S/c15-12-3-1-10(2-4-12)13-5-6-17-7-11(13)8-20(19)9-14(16)18/h1-4,11,13,17H,5-9H2,(H2,16,18)
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31n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156060
PNG
(4-(4-Chloro-phenyl)-1-methyl-3-(3-methyl-[1,2,4]ox...)
Show SMILES CN1CCC(C(CSCc2nc(C)no2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H22ClN3OS/c1-12-19-17(22-20-12)11-23-10-14-9-21(2)8-7-16(14)13-3-5-15(18)6-4-13/h3-6,14,16H,7-11H2,1-2H3
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32n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50166328
PNG
(9-[3-(2,6-Difluoro-phenyl)-prop-2-yn-(Z)-ylidene]-...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1c(F)cccc1F
Show InChI InChI=1S/C20H19F2NO2/c1-25-20(24)19-15-10-13-8-9-18(19)23(13)11-12(15)4-2-5-14-16(21)6-3-7-17(14)22/h3-4,6-7,13,15,18-19H,8-11H2,1H3/b12-4+
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32n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-5-HT at serotonin transporter of rat midbrain cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50166336
PNG
(9-[1-[2,3']Bithiophenyl-5-yl-meth-(Z)-ylidene]-7-a...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccsc1
Show InChI InChI=1S/C20H21NO2S2/c1-23-20(22)19-16-9-14-2-4-17(19)21(14)10-13(16)8-15-3-5-18(25-15)12-6-7-24-11-12/h3,5-8,11,14,16-17,19H,2,4,9-10H2,1H3/b13-8+
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32n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-5-HT at serotonin transporter of rat midbrain cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156040
PNG
(Benzoic acid 2-[4-(4-chloro-phenyl)-1-methyl-piper...)
Show SMILES CN1CCC(C(CS(=O)CCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClNO3S/c1-24-12-11-21(17-7-9-20(23)10-8-17)19(15-24)16-28(26)14-13-27-22(25)18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3
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32n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156037
PNG
(Acetic acid 2-[4-(4-chloro-phenyl)-1-methyl-piperi...)
Show SMILES CN1CCC(C(CSCCOC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClNO2S/c1-13(20)21-9-10-22-12-15-11-19(2)8-7-17(15)14-3-5-16(18)6-4-14/h3-6,15,17H,7-12H2,1-2H3
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35n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156047
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CSCC(N)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H21ClN2OS/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-20-10-15(17)19/h2-5,12,14H,6-10H2,1H3,(H2,17,19)
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39n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156039
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CS(=O)CCO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNO2S/c1-17-7-6-15(12-2-4-14(16)5-3-12)13(10-17)11-20(19)9-8-18/h2-5,13,15,18H,6-11H2,1H3
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42n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156057
PNG
(4-(4-Chloro-phenyl)-3-(2-methoxy-ethylsulfanylmeth...)
Show SMILES COCCSCC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClNOS/c1-18-8-7-16(13-3-5-15(17)6-4-13)14(11-18)12-20-10-9-19-2/h3-6,14,16H,7-12H2,1-2H3
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50n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156056
PNG
(CHEMBL188143 | [4-(4-Chloro-phenyl)-piperidin-3-yl...)
Show SMILES COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2S/c1-19-15(18)10-20-9-12-8-17-7-6-14(12)11-2-4-13(16)5-3-11/h2-5,12,14,17H,6-10H2,1H3
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51n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50166330
PNG
(9-[3-(3-Fluoro-4-methyl-phenyl)-prop-2-yn-(Z)-ylid...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(C)c(F)c1
Show InChI InChI=1S/C21H22FNO2/c1-13-6-7-14(10-18(13)22)4-3-5-15-12-23-16-8-9-19(23)20(17(15)11-16)21(24)25-2/h5-7,10,16-17,19-20H,8-9,11-12H2,1-2H3/b15-5+
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52n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156041
PNG
(CHEMBL188276 | [4-(4-Chloro-phenyl)-1-methyl-piper...)
Show SMILES COC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H22ClNO3S/c1-18-8-7-15(12-3-5-14(17)6-4-12)13(9-18)10-22(20)11-16(19)21-2/h3-6,13,15H,7-11H2,1-2H3
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53n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50166326
PNG
(9-[1-(4'-Fluoro-biphenyl-4-yl)-meth-(Z)-ylidene]-7...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FNO2/c1-28-24(27)23-21-13-20-10-11-22(23)26(20)14-18(21)12-15-2-4-16(5-3-15)17-6-8-19(25)9-7-17/h2-9,12,20-23H,10-11,13-14H2,1H3/b18-12+
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53n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex


Bioorg Med Chem Lett 15: 2461-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.083
BindingDB Entry DOI: 10.7270/Q23X8645
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156054
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CS(=O)CC(=O)NO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H21ClN2O3S/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-22(21)10-15(19)17-20/h2-5,12,14,20H,6-10H2,1H3,(H,17,19)
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55n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
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