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::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
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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.0970 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 expressed in CHO cells using [3H]DAMGO as radioligand | Bioorg Med Chem Lett 15: 2107-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.032 BindingDB Entry DOI: 10.7270/Q2C24X63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.160 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.160 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.160 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.160 | 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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.160 | -13.4 | 2.20 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.160 | 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 | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor kappa 1 expressed in CHO cells using [3H]U-69593 as radioligand | Bioorg Med Chem Lett 15: 2107-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.032 BindingDB Entry DOI: 10.7270/Q2C24X63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor delta 1 expressed in CHO cells using [3H]Naltrindole as radioligand | Bioorg Med Chem Lett 15: 2107-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.032 BindingDB Entry DOI: 10.7270/Q2C24X63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 1 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 2.20 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 2.20 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 1 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 2.20 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 1 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 1.10 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 0.390 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 2.20 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 1 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 2.20 | 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)) | BDBM50165048 (17-cyclobutylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,1...) | 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 | 1 | 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 |