BDBM50241341 (-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphinan-6-one::3-hydroxy-17-methyl-4,5alpha-epoxymorphinan-6-one::4,5-Epoxy-3-hydroxy-17-methylmorphinan-6-one::4,5alpha-Epoxy-3-hydroxy-17-methyl-6-morphinanone::6-Deoxy-7,8-dihydro-6-oxomorphine::7,8-Dihydromorphinone::CHEMBL398707::Dihydromorfinon::Dihydromorphinone::Dimorphone::HYDROMORPHONE::Hydromorfona::Hydromorphone Hydrochloride::Idromorfone
SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5O
InChI Key: InChIKey=WVLOADHCBXTIJK-YNHQPCIGSA-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)) | BDBM50241341 ((-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphina...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | 0.280 | n/a | n/a | n/a | n/a | 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)) | BDBM50241341 ((-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphina...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | 2.80 | 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)) | BDBM50241341 ((-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphina...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | 38 | 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 | |||||||||||||
Opioid receptor (Rattus norvegicus (rat)) | BDBM50241341 ((-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphina...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity to opioid receptor in rat brain homogenates | J Med Chem 22: 256-9 (1979) Article DOI: 10.1021/jm00189a007 BindingDB Entry DOI: 10.7270/Q2M61P72 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM50241341 ((-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphina...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.38E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Medicine Greifswald Curated by ChEMBL | Assay Description Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis | J Med Chem 62: 9890-9905 (2019) Article DOI: 10.1021/acs.jmedchem.9b01301 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50241341 ((-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphina...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | n/a | n/a | 2.60 | 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)) | BDBM50241341 ((-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphina...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | n/a | n/a | 11 | 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 |