BDBM50249017 14-O-phenylpropylnaltrexone::4-cyclopropylmethyl-10-hydroxy-17-(3-phenylpropoxy)-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-one::CHEMBL514774::US10231963, Table B.14::US11534436, Compound Table B.14::US9656961, Example 00131

SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1

InChI Key InChIKey=KOXWKZKLXNZQAO-ZLPBPMGLSA-N

Data  11 KI  3 IC50  2 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 16 hits for monomerid = 50249017   

TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.0610nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.0610nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.0610nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.340nMAssay Description:In vitro binding affinity at opioid receptor mu 1 was determined in C6 rat glioma cells using [3H]DAMGOMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.410nMAssay Description:Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.410nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.410nMAssay Description:In vitro binding affinity at opioid receptor kappa 1 was determined in human CHO cells using [3H]U-69593More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.480nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataKi:  0.480nMAssay Description:In vitro binding affinity at opioid receptor delta 1 was determined in C6 rat glioma cells using [3H]Ile5,6 deltorphin IIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataIC50:  0.0790nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataEC50:  0.0750nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataIC50:  0.0790nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataEC50:  0.0750nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50249017(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Affinity DataIC50:  0.0790nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In DepthDetails US Patent