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32 similar compounds to monomer 50154364

Compile data set for download or QSAR
Wt: 295.4
BDBM81987
Wt: 295.4
BDBM81988
Wt: 295.4
BDBM81990
Wt: 295.4
BDBM81991
Purchase
Wt: 285.8
BDBM50452191
Wt: 285.8
BDBM50452478
Wt: 309.4
BDBM50014236
Wt: 295.4
BDBM50014237
Wt: 274.3
BDBM50014239
Wt: 295.4
BDBM50014240
Wt: 309.4
BDBM50014244
Wt: 295.4
BDBM50014246
Wt: 249.3
BDBM50014245
Wt: 329.8
BDBM50014224
Wt: 311.4
BDBM50014227
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 81987,81988,81990,81991,50452191,50452478,50014236,50014237,50014239,50014240,50014244,50014246,50014245,50014224,50014227   
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 serotonin transporter


(Homo sapiens (Human))
BDBM81987
PNG
(CHEMBL116048 | McN-5652-15)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3
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0.0100n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against Serotonin transporter (SERT) from LLC-PK1 cell membranes.


J Med Chem 42: 333-5 (1999)


Article DOI: 10.1021/jm9806751
BindingDB Entry DOI: 10.7270/Q2TX3DJN
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014237
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM81991
PNG
(McN-5652-X-68)
Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM81988
PNG
(McN-5652-W-68 | McN-5652-Z-68)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014245
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17?,18-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
SLC6A3


(MOUSE)
BDBM50014237
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m1/s1
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0.680n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014237
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM81991
PNG
(McN-5652-X-68)
Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1
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1.82n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM81987
PNG
(CHEMBL116048 | McN-5652-15)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3
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1.82n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting reuptake of [3H]- NE by norepinephrine transporter


J Med Chem 42: 333-5 (1999)


Article DOI: 10.1021/jm9806751
BindingDB Entry DOI: 10.7270/Q2TX3DJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM81987
PNG
(CHEMBL116048 | McN-5652-15)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3
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2.01n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014244
PNG
(10-Methyl-6-(4-methylsulfanyl-phenyl)-1,2,3,5,6,10...)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2c(C)cccc12
Show InChI InChI=1S/C20H23NS/c1-14-5-3-6-17-18(15-8-10-16(22-2)11-9-15)13-21-12-4-7-19(21)20(14)17/h3,5-6,8-11,18-19H,4,7,12-13H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014237
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014236
PNG
(6-(4-Ethylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro...)
Show SMILES CCSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C20H23NS/c1-2-22-16-11-9-15(10-12-16)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h3-4,6-7,9-12,19-20H,2,5,8,13-14H2,1H3
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3n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM81988
PNG
(McN-5652-W-68 | McN-5652-Z-68)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
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3.04n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM81987
PNG
(CHEMBL116048 | McN-5652-15)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3
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3.29n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014240
PNG
(6-(2-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccccc1C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-19-11-5-4-9-16(19)17-13-20-12-6-10-18(20)15-8-3-2-7-14(15)17/h2-5,7-9,11,17-18H,6,10,12-13H2,1H3
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4.5n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014236
PNG
(6-(4-Ethylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro...)
Show SMILES CCSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C20H23NS/c1-2-22-16-11-9-15(10-12-16)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h3-4,6-7,9-12,19-20H,2,5,8,13-14H2,1H3
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6n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014239
PNG
(4-(1,2,3,5,6,10b-Hexahydro-pyrrolo[2,1-a]isoquinol...)
Show SMILES N#Cc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H18N2/c20-12-14-7-9-15(10-8-14)18-13-21-11-3-6-19(21)17-5-2-1-4-16(17)18/h1-2,4-5,7-10,18-19H,3,6,11,13H2
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7.90n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
SLC6A3


(MOUSE)
BDBM50014224
PNG
(8-Chloro-6-(4-methylsulfanyl-phenyl)-1,2,3,5,6,10b...)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccc(Cl)cc12
Show InChI InChI=1S/C19H20ClNS/c1-22-15-7-4-13(5-8-15)18-12-21-10-2-3-19(21)16-9-6-14(20)11-17(16)18/h4-9,11,18-19H,2-3,10,12H2,1H3
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8.60n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014245
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17?,18-/m1/s1
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11n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM81987
PNG
(CHEMBL116048 | McN-5652-15)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3
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11.3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against monoamine transporter NET (norepinephrine transporter) in LLC-PK1 cell membranes.


J Med Chem 42: 333-5 (1999)


Article DOI: 10.1021/jm9806751
BindingDB Entry DOI: 10.7270/Q2TX3DJN
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014244
PNG
(10-Methyl-6-(4-methylsulfanyl-phenyl)-1,2,3,5,6,10...)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2c(C)cccc12
Show InChI InChI=1S/C20H23NS/c1-14-5-3-6-17-18(15-8-10-16(22-2)11-9-15)13-21-12-4-7-19(21)20(14)17/h3,5-6,8-11,18-19H,4,7,12-13H2,1-2H3
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12n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
SLC6A3


(MOUSE)
BDBM50014240
PNG
(6-(2-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccccc1C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-19-11-5-4-9-16(19)17-13-20-12-6-10-18(20)15-8-3-2-7-14(15)17/h2-5,7-9,11,17-18H,6,10,12-13H2,1H3
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13n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014239
PNG
(4-(1,2,3,5,6,10b-Hexahydro-pyrrolo[2,1-a]isoquinol...)
Show SMILES N#Cc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H18N2/c20-12-14-7-9-15(10-8-14)18-13-21-11-3-6-19(21)17-5-2-1-4-16(17)18/h1-2,4-5,7-10,18-19H,3,6,11,13H2
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14n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014224
PNG
(8-Chloro-6-(4-methylsulfanyl-phenyl)-1,2,3,5,6,10b...)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccc(Cl)cc12
Show InChI InChI=1S/C19H20ClNS/c1-22-15-7-4-13(5-8-15)18-12-21-10-2-3-19(21)16-9-6-14(20)11-17(16)18/h4-9,11,18-19H,2-3,10,12H2,1H3
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16n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM81990
PNG
(McN-5655-Z-14)
Show SMILES CSc1ccc(cc1)[C@H]1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19?/m1/s1
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16.6n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
SLC6A3


(MOUSE)
BDBM50014246
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m0/s1
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17n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM81987
PNG
(CHEMBL116048 | McN-5652-15)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3
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23.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting Dopamine transporter


J Med Chem 42: 333-5 (1999)


Article DOI: 10.1021/jm9806751
BindingDB Entry DOI: 10.7270/Q2TX3DJN
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM81991
PNG
(McN-5652-X-68)
Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1
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23.5n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
SLC6A3


(MOUSE)
BDBM50014245
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17?,18-/m1/s1
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24n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014237
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m1/s1
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24n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014237
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m1/s1
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37n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM81988
PNG
(McN-5652-W-68 | McN-5652-Z-68)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
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41.2n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014237
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m1/s1
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58n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
SLC6A3


(MOUSE)
BDBM50014244
PNG
(10-Methyl-6-(4-methylsulfanyl-phenyl)-1,2,3,5,6,10...)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2c(C)cccc12
Show InChI InChI=1S/C20H23NS/c1-14-5-3-6-17-18(15-8-10-16(22-2)11-9-15)13-21-12-4-7-19(21)20(14)17/h3,5-6,8-11,18-19H,4,7,12-13H2,1-2H3
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58n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM81988
PNG
(McN-5652-W-68 | McN-5652-Z-68)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
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58.4n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50452191
PNG
(CHEMBL2093943)
Show SMILES C1C[C@@H]2N(C1)C[C@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N.ClH/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17;/h1-5,7-10,17-18H,6,11-13H2;1H/t17-,18+;/m1./s1
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65n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


Article DOI: 10.1021/jm00374a001
BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50452478
PNG
(CHEMBL2114393)
Show SMILES C1C[C@@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N.ClH/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17;/h1-5,7-10,17-18H,6,11-13H2;1H/t17-,18-;/m0./s1
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65n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM81987
PNG
(CHEMBL116048 | McN-5652-15)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3
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69.8n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
SLC6A3


(MOUSE)
BDBM50014239
PNG
(4-(1,2,3,5,6,10b-Hexahydro-pyrrolo[2,1-a]isoquinol...)
Show SMILES N#Cc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H18N2/c20-12-14-7-9-15(10-8-14)18-13-21-11-3-6-19(21)17-5-2-1-4-16(17)18/h1-2,4-5,7-10,18-19H,3,6,11,13H2
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83n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
SLC6A3


(MOUSE)
BDBM50014236
PNG
(6-(4-Ethylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro...)
Show SMILES CCSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C20H23NS/c1-2-22-16-11-9-15(10-12-16)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h3-4,6-7,9-12,19-20H,2,5,8,13-14H2,1H3
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84n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014224
PNG
(8-Chloro-6-(4-methylsulfanyl-phenyl)-1,2,3,5,6,10b...)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccc(Cl)cc12
Show InChI InChI=1S/C19H20ClNS/c1-22-15-7-4-13(5-8-15)18-12-21-10-2-3-19(21)16-9-6-14(20)11-17(16)18/h4-9,11,18-19H,2-3,10,12H2,1H3
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103n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM81987
PNG
(CHEMBL116048 | McN-5652-15)
Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3
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112n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against Dopamine transporter in LLC-PK1 cell membranes.


J Med Chem 42: 333-5 (1999)


Article DOI: 10.1021/jm9806751
BindingDB Entry DOI: 10.7270/Q2TX3DJN
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM81990
PNG
(McN-5655-Z-14)
Show SMILES CSc1ccc(cc1)[C@H]1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19?/m1/s1
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127n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014246
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m0/s1
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127n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81991
PNG
(McN-5652-X-68)
Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1
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142n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50452191
PNG
(CHEMBL2093943)
Show SMILES C1C[C@@H]2N(C1)C[C@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N.ClH/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17;/h1-5,7-10,17-18H,6,11-13H2;1H/t17-,18+;/m1./s1
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine (DA) uptake into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


Article DOI: 10.1021/jm00374a001
BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50452478
PNG
(CHEMBL2114393)
Show SMILES C1C[C@@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N.ClH/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17;/h1-5,7-10,17-18H,6,11-13H2;1H/t17-,18-;/m0./s1
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Dopamine transporter


(MOUSE)
BDBM50014240
PNG
(6-(2-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccccc1C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-19-11-5-4-9-16(19)17-13-20-12-6-10-18(20)15-8-3-2-7-14(15)17/h2-5,7-9,11,17-18H,6,10,12-13H2,1H3
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187n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81988
PNG
(McN-5652-W-68 | McN-5652-Z-68)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
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208n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
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