BDBM388642 Reboxe- tine::US9944618, Compound ID No. 178

SMILES CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3

InChI Key InChIKey=CBQGYUDMJHNJBX-UHFFFAOYSA-N

Data  6 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 388642   

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM388642(US9944618, Compound ID No. 178 | Reboxe- tine)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human NET expressed in HEK293 cells assessed as reduction in ASP+ uptake incubated for 20 mins before ASP+ addition and measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM388642(US9944618, Compound ID No. 178 | Reboxe- tine)
Affinity DataKi:  2.90nMAssay Description:NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details
US Patent

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM388642(US9944618, Compound ID No. 178 | Reboxe- tine)
Affinity DataKi:  39nMAssay Description:Displacement of [3H]-nisoxetine from human NET expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Mayo Foundation

US Patent
LigandPNGBDBM388642(US9944618, Compound ID No. 178 | Reboxe- tine)
Affinity DataKi:  99.5nMAssay Description:SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details
US Patent

TargetSodium-dependent dopamine transporter(Human)
Mayo Foundation

US Patent
LigandPNGBDBM388642(US9944618, Compound ID No. 178 | Reboxe- tine)
Affinity DataKi:  5.26E+3nMAssay Description:DAT: This protocol was designed to measure inhibition of uptake by the human dopamine transporter. The reagents were human DAT (HEK293F) cells, GBR 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details
US Patent

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM388642(US9944618, Compound ID No. 178 | Reboxe- tine)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetVoltage-dependent calcium channel subunit alpha-2/delta-2(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM388642(US9944618, Compound ID No. 178 | Reboxe- tine)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed