null

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

InChI Key InChIKey=MQDDJWTVOBHYHX-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50199790   

TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))TBA
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348Q2JPubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))TBA
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ05RVPubMed
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 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
Affinity DataKi:  4.03nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2F47S7BUS 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 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2PR7Z87US Patent
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2F47S7BUS Patent
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2PR7Z87US Patent
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2ST7TRGUS Patent
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ05RVPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348Q2JPubMed
TargetSigma intracellular receptor 2(Rattus norvegicus (Rat))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2PR7Z87US Patent
TargetSigma intracellular receptor 2(Rattus norvegicus (Rat))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
Affinity DataKi:  84.7nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2F47S7BUS Patent
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ05RVPubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ05RVPubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ05RVPubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348Q2JPubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ05RVPubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348Q2JPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2F47S7BUS Patent
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2ST7TRGUS Patent
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ05RVPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2PR7Z87US Patent
TargetD(4) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ05RVPubMed
TargetD(4) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348Q2JPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

US Patent
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348Q2JPubMed
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 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2F47S7BUS Patent
TargetTransporter(Rattus norvegicus (rat))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2PR7Z87US Patent
TargetTransporter(Rattus norvegicus (rat))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2ST7TRGUS Patent
TargetD(2) dopamine receptor(Homo sapiens (Human))
National Institute on Drug Abuse

Curated by ChEMBL
LigandPNGBDBM50199790(CHEMBL3916231 | US10913711, Compound 9d | US115550...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ05RVPubMed