BDBM50580852 CHEMBL5091094

SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(CCCOC)CC1)c1cccc(n1)C(F)(F)F

InChI Key InChIKey=BXHYPQQCZIJJEN-UHFFFAOYSA-N

Data  2 KI  1 IC50  1 EC50

  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 4 hits for monomerid = 50580852   

TargetMu-type opioid receptor(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50580852(CHEMBL5091094)
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
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50580852(CHEMBL5091094)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of hERG expressed in CHO cells by whole cell patch clamp assayMore 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
LigandPNGBDBM50580852(CHEMBL5091094)
Affinity DataKi:  38nMAssay 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
TargetMu-type opioid receptor(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50580852(CHEMBL5091094)
Affinity DataKi:  267nMAssay 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 Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed