BDBM50199790 CHEMBL3916231::US10913711, Compound 9d::US11555013, Compound 9d::US9862679, Compound 9d

SMILES CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

InChI Key InChIKey=MQDDJWTVOBHYHX-UHFFFAOYSA-N

Data  27 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50199790   

TargetD(2) dopamine receptor(Human)
National Institute On Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at DRD2 (unknown origin) expressed in HEK293T cells transfected with Galphai1-RLuc8 and gamma2-GFP10 assessed as inhibition of qu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2018
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
National Institute On Drug Abuse - Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
National Institute On Drug Abuse - Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  4nMAssay Description:Displacement of [3H](+)-pentazocine from sigma1 receptor in whole-guinea pig brain minus cerebellum homogenates incubated for 120 mins by radioligand...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2018
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  4.03nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent

TargetSigma non-opioid intracellular receptor 1(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  4.03nMAssay Description:The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2019
Entry Details
Go to US Patent

TargetSodium-dependent dopamine transporter(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  16.7nMAssay Description:Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent

TargetSodium-dependent dopamine transporter(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  16.7nMAssay Description:Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2023
Entry Details
Go to US Patent

TargetSodium-dependent dopamine transporter(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  16.7nMAssay Description:Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2019
Entry Details
Go to US Patent

TargetSodium-dependent dopamine transporter(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2018
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  38nMAssay Description:Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatal membranes incubated for 120 mins by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services Office of Technology Transfer, National Institutes of Health

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  84.7nMAssay Description:The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2019
Entry Details
Go to US Patent

TargetSigma intracellular receptor 2(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services Office of Technology Transfer, National Institutes of Health

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  84.7nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  101nMAssay Description:Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell membranes incubated for >90 mins by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2018
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
National Institute On Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  200nMAssay Description:Inhibition of DAT (unknown origin) expressed in COS7 cells assessed as reduction in [3H]DA uptake incubated for 5 mins by beta-scintillation counting...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2018
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
National Institute On Drug Abuse - Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  424nMAssay Description:Displacement of [3H]-N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
National Institute On Drug Abuse - Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  424nMAssay Description:Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2018
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
National Institute On Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  693nMAssay Description:Displacement of [3H]N-methylspiperone from human D2R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2018
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
National Institute On Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  693nMAssay Description:Displacement of [3H]-N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Rat)
The Usa, As Represented By The Secretary, Dhhs

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  1.77E+3nMAssay Description:Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2023
Entry Details
Go to US Patent

TargetSodium-dependent serotonin transporter(Rat)
The Usa, As Represented By The Secretary, Dhhs

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  1.77E+3nMAssay Description:Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent

TargetSodium-dependent serotonin transporter(Rat)
The Usa, As Represented By The Secretary, Dhhs

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  1.77E+3nMAssay Description:Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2019
Entry Details
Go to US Patent

TargetSodium-dependent serotonin transporter(Rat)
The Usa, As Represented By The Secretary, Dhhs

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  1.77E+3nMAssay Description:Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain stem membranes incubated for 60 mins by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2018
Entry Details Article
PubMed
TargetD(4) dopamine receptor(Human)
National Institute On Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  6.30E+3nMAssay Description:Displacement of [3H]N-methylspiperone from human D4R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2018
Entry Details Article
PubMed
TargetD(4) dopamine receptor(Human)
National Institute On Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  6.30E+3nMAssay Description:Displacement of [3H]-N-methylspiperone from human D4.4 receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Rat)
The Usa, As Represented By The Secretary, Dhhs

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  6.80E+3nMAssay Description:Displacement of [3H]citalopram from SERT in Sprague-Dawley rat midbrain membranes incubated for 60 mins by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetNeuroepithelial cell-transforming 1(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  1.78E+4nMAssay Description:Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, fron...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent

TargetTransporter(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services Office of Technology Transfer, National Institutes of Health

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  1.78E+4nMAssay Description:Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2019
Entry Details
Go to US Patent

TargetTransporter(Rat)
The United States of America, As Represented By The Secretary, Department of Health and Human Services Office of Technology Transfer, National Institutes of Health

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US9862679, Compound 9d | US1091371...)
Affinity DataKi:  1.78E+4nMAssay Description:Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, fron...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2023
Entry Details
Go to US Patent