BDBM50278263 (1R,9R,10S,13R)-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::CHEMBL511645::US10231963, Table B.20::US10287250, Compound B.14::US10736890, Compound TABLE B.20::US10752592, Compound TABLE B.14::US9133125, Table B, Compound 14::US9656961, Example 00137
SMILES: NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@H](O)CC[C@@]34O)c2c1O
InChI Key: InChIKey=NWIALXFYKPFWTR-PVFUSPOPSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company | Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour... | Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour... | US Patent US10752592 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour... | US Patent US10736890 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.100 | -13.6 | 3.80 | n/a | n/a | n/a | n/a | 7.5 | 25 |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o... | US Patent US9133125 (2015) BindingDB Entry DOI: 10.7270/Q2736PPB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ... | US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari | Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ... | J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company | Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour... | Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 0.980 | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari | Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ... | J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari | Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ... | J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour... | US Patent US10736890 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 0.980 | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour... | US Patent US10752592 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 0.980 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company | Assay Description The EC50 and Imax for μ opioid receptors was determined using a [35S]GTPγS binding assay. This assay measures the functional properties of ... | Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ... | US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 0.980 | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ... | US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.860 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour... | US Patent US10752592 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278263 ((1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trih...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 0.980 | n/a | n/a | 7.4 | n/a |
ALKERMES PHARMA IRELAND LIMITED US Patent | Assay 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... | US Patent US9133125 (2015) BindingDB Entry DOI: 10.7270/Q2736PPB | |||||||||||
More data for this Ligand-Target Pair |