BDBM50274482 (2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxymorphinan-6-yl]-3-(furan-3-yl)-N-methylprop-2-enamide::CHEMBL485583
SMILES: CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
InChI Key: InChIKey=XNAXOXVMRWBOSY-YDLVXVFUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50274482 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-1...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum | Bioorg Med Chem Lett 22: 5071-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.122 BindingDB Entry DOI: 10.7270/Q2DB82XR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50274482 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 169 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse cerebellum | Bioorg Med Chem Lett 22: 5071-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.122 BindingDB Entry DOI: 10.7270/Q2DB82XR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50274482 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse cerebellum | Bioorg Med Chem Lett 22: 5071-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.122 BindingDB Entry DOI: 10.7270/Q2DB82XR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50274482 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15... | J Med Chem 60: 1018-1040 (2017) BindingDB Entry DOI: 10.7270/Q22N54JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50274482 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 27.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc. Curated by ChEMBL | Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction | Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD | |||||||||||
More data for this Ligand-Target Pair |