BDBM50177766 2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl)-5-(5-{2-[3-(3,4-dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carbonyloxy]-ethylcarbamoyl}-pentylsulfamoyl)-benzenesulfonic acid anion::CHEMBL372378

SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOC(=O)[C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)c(Cl)c3)N4C)c3ccc(cc3oc2c1)=[N+](CC)CC

InChI Key

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50177766   

TargetSodium-dependent dopamine transporter(Human)
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50177766(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)
Affinity DataKi:  27nMAssay Description:Displacement of [3H]CFT from human DAT expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50177766(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)
Affinity DataKi:  72nMAssay Description:Displacement of [3H]dopamine from human DAT expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50177766(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)
Affinity DataKi:  177nMAssay Description:Displacement of [3H]dopamine from human NET expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50177766(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)
Affinity DataKi:  1.49E+3nMAssay Description:Displacement of [3H]5HT from human SERT expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed