BDBM50274175 (2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-phenyl-N-methylprop-2-enamide::CHEMBL491868
SMILES: CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccccc1
InChI Key: InChIKey=OJZXMIJRTCOCAJ-ZLBGLQFLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50274175 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 389 | 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)) | BDBM50274175 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.166 | 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 |