BDBM50165048 17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide::CHEMBL370029::US10231963, Table B.16::US10287250, Compound B.12::US10736890, Compound TABLE B.16::US10752592, Compound TABLE B.12::US11534436, Compound Table B.16::US9133125, Table B, Compound 12::US9656961, Example 00133

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

InChI Key InChIKey=SIIKUSQIIPEOEA-ZPMCFJSWSA-N

Data  11 KI  8 IC50  6 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 = 50165048   

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

US Patent
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.0970nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.130nMAssay Description:Binding affinity against Opioid receptor mu 1 expressed in CHO cells using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.160nM ΔG°:  -13.4kcal/mole IC50:  2.20nMpH: 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 DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.160nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.160nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.160nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.160nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.160nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.160nMAssay 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
TargetKappa-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  0.270nMAssay Description:Binding affinity against Opioid receptor kappa 1 expressed in CHO cells using [3H]U-69593 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataKi:  4.20nMAssay Description:Binding affinity against Opioid receptor delta 1 expressed in CHO cells using [3H]Naltrindole as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataEC50:  1nMAssay 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 DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataIC50:  2.20nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataIC50:  2.20nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataEC50:  1nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataIC50:  2.20nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataIC50:  2.20nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataEC50:  1nMpH: 7.4Assay Description:The EC50 and Imax for μ opioid receptors was determined using a [I35S]GTPγS binding assay. This assay measures the functional properties of a compo...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataIC50:  2.20nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataEC50:  1nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataEC50:  1nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataIC50:  2.20nMAssay 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
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataEC50:  0.390nMAssay 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 DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50165048(17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...)
Affinity DataIC50:  1.10nMAssay 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