BDBM50396352 CHEMBL2170062

SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1

InChI Key InChIKey=DGPGXHRHNRYVDH-UHFFFAOYSA-N

Data  22 KI  21 IC50  3 EC50

PDB links: 2 PDB IDs match this monomer.

  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 46 hits for monomerid = 50396352   

TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (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 DepthDetails PubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails PubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  17nMAssay Description:Binding affinity to human sigma-1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Helmholtz-Zentrum Dresden-Rossendor

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 DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Esteve

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi:  328nMAssay Description:Binding affinity to human 5HT2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Rattus norvegicus (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 DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (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 DepthDetails ArticlePubMed