BDBM50396352 CHEMBL2170062

SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1

InChI Key InChIKey=DGPGXHRHNRYVDH-UHFFFAOYSA-N

Data  30 KI  21 IC50  3 EC50

  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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 50396352   

TargetCytochrome P450 2D6(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human MOR expressed in CHO-K1 cells assessed as reduction in forskolin-induced cAMP production incubated for 45 mins by by HTRF a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 4.70E+3nMAssay Description:Antagonist activity at human 5HT2B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2E1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  6.5nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig membrane after 180 mins by liquid scintillation counting anal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 180 mins by liquid scintillation counting...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2017
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  13nMAssay Description:Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membrane at 1 uM by liquid scintillation counting analysis relative to cont...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cell membranes assessed as inhibition constant measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane assessed as inhibition constant by liquid scintillation counte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Binding affinity to human sigma 1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of 3H](+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation count...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2016
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Binding affinity to human sigma-1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  24nMAssay Description:Displacement of [3H]-pentazocine from sigma-1 receptor in human Jurkat cell membrane incubated for 2 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetGlutamate receptor ionotropic, NMDA 2B(Mouse)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi: >58nMAssay Description:Displacement of [3H]ifenprodil from GluN2B in mouse LTK cells assessed as inhibition constant measured after 120 mins by scintillation counting metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  328nMAssay Description:Binding affinity to human 5HT2B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]-DTG from sigma-2 receptor in human Jurkat cell membrane incubated for 1 hr by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity to human sigma 2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]-(+)-pentazocine from guinea pig brain membrane sigma 1 receptor assessed as inhibition constant measured after 120 mins by scint...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetSigma intracellular receptor 2(Rat)
Helmholtz-Zentrum Dresden-Rossendor

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  9.30E+3nMAssay Description:Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Rat)
Helmholtz-Zentrum Dresden-Rossendor

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  9.30E+3nMAssay Description:Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat liver assessed as inhibition constant by liquid scintillation counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
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