BDBM518578 US11124523, Example (+)-16

SMILES Fc1ccc(nc1)[C@]1(CCNCc2cccc(Cl)c2)CCO[C@]2(CCOC2)C1

InChI Key InChIKey=VDEAHPKUJXNLGH-UHFFFAOYSA-N

Data  1 KI  10 IC50  6 EC50

  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 17 hits for monomerid = 518578   

TargetCytochrome P450 1A2(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
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
TargetMu-type opioid receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
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
TargetKappa-type opioid receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human kappa opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human delta opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assayMore 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
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataEC50:  5.10nMAssay Description:Agonist activity at human mu opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataIC50: 2.28E+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 2C19(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataIC50: 3.30E+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 2C9(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
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
TargetMu-type opioid receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataEC50:  0.5nMAssay 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
Go to US Patent

TargetMu-type opioid receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataEC50:  0.350nMAssay 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
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataIC50: 2.28E+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
Go to US Patent

TargetCytochrome P450 3A4(Human)
TBA

US Patent
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataIC50: 4.06E+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
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataIC50: 1.27E+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)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataIC50: 3.37E+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 2C9(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
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 1A2(Rat)
TBA

US Patent
LigandPNGBDBM518578(US11124523, Example (+)-16)
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)
Yantai University

Curated by ChEMBL
LigandPNGBDBM518578(US11124523, Example (+)-16)
Affinity DataKi:  0.514nMAssay Description:Displacement of [3H]-Diprenorphine from human mu opiod receptor expressed in CHO cells incubated for 1 hr by competition binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed