BDBM50431031 CHEMBL2338343

SMILES CC(C)CCOc1ccc2N[C@H](C3CCOCC3)[C@@H]3CCCO[C@@H]3c2c1

InChI Key InChIKey=DTQWCHXPSGNTKM-UHFFFAOYSA-N

Data  4 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50431031   

LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to human ERG channel by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataKi:  30nMAssay 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
LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataKi:  30nMAssay 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
LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataKi:  30nMAssay 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
Target5-hydroxytryptamine receptor 2B(Human)
Esteve

Curated by ChEMBL
LigandPNGBDBM50431031(CHEMBL2338343)
Affinity DataKi:  5.30E+3nMAssay Description:Binding affinity to human 5-HT2B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed