BDBM518563 US11124523, Example (+)-2

SMILES C(C[C@]1(CCO[C@]2(CCOC2)C1)c1ccccn1)NCc1scc2CCCc12

InChI Key InChIKey=LTBSXKNJCNNQFE-UHFFFAOYSA-N

Data  10 IC50  3 EC50

  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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 518563   

TargetMu-type opioid receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518563(US11124523, Example (+)-2)
Affinity DataEC50:  0.460nMAssay 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)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518563(US11124523, Example (+)-2)
Affinity DataEC50:  0.470nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518563(US11124523, Example (+)-2)
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
LigandPNGBDBM518563(US11124523, Example (+)-2)
Affinity DataIC50: 4.00E+4nMAssay Description:To test the blocking effects of the compounds of the present disclosure on hERG potassium currents.More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2022
Entry Details
US Patent

LigandPNGBDBM518563(US11124523, Example (+)-2)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV by whole cell patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
TBA

US Patent
LigandPNGBDBM518563(US11124523, Example (+)-2)
Affinity DataIC50: 4.64E+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
US Patent

TargetCytochrome P450 3A4(Human)
TBA

US Patent
LigandPNGBDBM518563(US11124523, Example (+)-2)
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
US Patent

TargetCytochrome P450 1A2(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518563(US11124523, Example (+)-2)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518563(US11124523, Example (+)-2)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518563(US11124523, Example (+)-2)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Rat)
TBA

US Patent
LigandPNGBDBM518563(US11124523, Example (+)-2)
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
US Patent

TargetCytochrome P450 2C9(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518563(US11124523, Example (+)-2)
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
US Patent

TargetCytochrome P450 2C19(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518563(US11124523, Example (+)-2)
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
US Patent