BDBM83464 3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde::3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde::3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde::3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde::MLS002695970::SMR001562125::cid_4749
SMILES: COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C1O
InChI Key: InChIKey=PMTSPAGBAFCORP-UHFFFAOYSA-N
Data: 1 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM83464![]() (3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyra...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >9.25E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3 | |||||||||||
More data for this Ligand-Target Pair |