BDBM518560 US11124523, Example (+)-1b

SMILES COc1ccsc1CNCC[C@]1(CCO[C@]2(CCOC2)C1)c1ccccn1

InChI Key InChIKey=ILILGGPBJCSIFA-UHFFFAOYSA-N

Data  5 IC50  3 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 8 hits for monomerid = 518560   

TargetMu-type opioid receptor(Human)
TBA

US Patent
LigandPNGBDBM518560(US11124523, Example (+)-1b)
Affinity DataEC50:  10nMAssay Description:The experiment was performed using a cAMP detection kit from Cisbio (Cisbio #62AM4PEJ).More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2022
Entry Details
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TargetCytochrome P450 1A2(Rat)
TBA

US Patent
LigandPNGBDBM518560(US11124523, Example (+)-1b)
Affinity DataIC50: 5.00E+4nMAssay Description:To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2022
Entry Details
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TargetCytochrome P450 2C9(Human)
TBA

US Patent
LigandPNGBDBM518560(US11124523, Example (+)-1b)
Affinity DataIC50: 5.00E+4nMAssay Description:To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2022
Entry Details
Go to US Patent

TargetCytochrome P450 2C19(Human)
TBA

US Patent
LigandPNGBDBM518560(US11124523, Example (+)-1b)
Affinity DataIC50: 5.00E+4nMAssay Description:To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2022
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
TBA

US Patent
LigandPNGBDBM518560(US11124523, Example (+)-1b)
Affinity DataIC50: 3.55E+4nMAssay Description:To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2022
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
TBA

US Patent
LigandPNGBDBM518560(US11124523, Example (+)-1b)
Affinity DataIC50: 5.00E+4nMAssay Description:To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2022
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
TBA

US Patent
LigandPNGBDBM518560(US11124523, Example (+)-1b)
Affinity DataEC50:  20nMAssay Description:Agonist activity at mu opioid receptor (unknown origin) assessed as increase in cAMP level incubated for 40 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
TBA

US Patent
LigandPNGBDBM518560(US11124523, Example (+)-1b)
Affinity DataEC50: >3.00E+4nMAssay Description:Agonist activity at mu opioid receptor (unknown origin) assessed as beta arrestin-2 recruitment incubated for 3 days by PathHunter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed