BDBM50278335 (1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4-carboxamide::CHEMBL512150::US10231963, Table B.19::US10287250, Compound B.13::US10736890, Compound TABLE B.19::US10752592, Compound TABLE B.13::US11534436, Compound Table B.19::US9133125, Table B, Compound 13::US9656961, Example 00136

SMILES NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@@H](O)CC[C@@]34O)c2c1O

InChI Key InChIKey=NWIALXFYKPFWTR-UHFFFAOYSA-N

Data  10 KI  8 IC50  7 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 24 hits for monomerid = 50278335   

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataEC50:  2.80nMAssay Description:The EC50 and Imax for μ opioid receptors was determined using a [35S]GTPγS binding assay. This assay measures the functional properties of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2020
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataIC50: 47nMAssay 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 Depth
Date in BDB:
2/20/2023
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataIC50: 47nMAssay 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 Depth
Date in BDB:
4/11/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataEC50:  2.80nMAssay 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 Depth
Date in BDB:
4/11/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataIC50: 7nMAssay 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 Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataIC50: 47nMAssay 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 Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataEC50:  2.80nMAssay 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 Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataIC50: 47nMAssay 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 Depth
Date in BDB:
2/27/2020
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataIC50: 47nMAssay 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 Depth
Date in BDB:
4/8/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataEC50:  2.80nMAssay 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 Depth
Date in BDB:
4/8/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataIC50: 26nMAssay Description:Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataEC50:  3.90nMAssay Description:Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataEC50:  3.10nMAssay Description:Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataEC50:  2.80nMpH: 7.4Assay Description:The EC50 and Imax for mu opioid receptors was determined using a [I35S]GTPgammaS binding assay. This assay measures the functional properties of a co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/16/2016
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  0.520nMAssay Description:Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  0.590nMAssay 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 Depth
Date in BDB:
4/8/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  0.590nMAssay 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 Depth
Date in BDB:
2/27/2020
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  0.590nM ΔG°:  -12.6kcal/mole IC50: 47nMpH: 7.5 T: 2°CAssay Description:The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/16/2016
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  0.590nMAssay 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 Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  0.590nMAssay 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 Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  0.590nMAssay 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 Depth
Date in BDB:
4/11/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  0.590nMAssay 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 Depth
Date in BDB:
2/20/2023
Entry Details
Go to US Patent

TargetKappa-type opioid receptor(Human)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278335((1R,9R,10S,13S)-17-(cyclobutylmethyl)-3,10,13-trih...)
Affinity DataKi:  78nMAssay Description:Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed