BDBM50509101 CHEMBL4460098

SMILES Cc1ccc(c(c1)Oc2ccc3c(c2)ccnc3N)NS(=O)(=O)c4ccccc4OC

InChI Key InChIKey=BWEJNHRMGZUMNU-UHFFFAOYSA-N

Data  3 KI  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50509101   

LigandPNGBDBM50509101(CHEMBL4460098)
Affinity DataEC50:  50nMAssay Description:Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Rat)
Eisai

Curated by ChEMBL
LigandPNGBDBM50509101(CHEMBL4460098)
Affinity DataKi:  1.21E+7nMAssay Description:Displacement of [3H]U-69,593 from kappa opioid receptor in rat brain after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
Eisai

Curated by ChEMBL
LigandPNGBDBM50509101(CHEMBL4460098)
Affinity DataKi:  3.73E+6nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in rat brain after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
Eisai

Curated by ChEMBL
LigandPNGBDBM50509101(CHEMBL4460098)
Affinity DataKi:  2.47E+6nMAssay Description:Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed