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BDBM83451 (4R,4aS,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::(4R,4aS,12bS)-9-methoxy-3-methyl-4a-oxidanyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::Dihydrohydroxycodeinone hydrochloride::MLS002320707::Oxycodone hydrochloride::SMR001338853::cid_5464086

SMILES: COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C(=O)CC[C@@]35O

InChI Key: InChIKey=BRUQQQPBMZOVGD-FSFXSCMFSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83451   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83451
PNG
((4R,4aS,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16?,17+,18-/m1/s1
PDB

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Similars

PCBioAssay
n/an/an/an/a>9.24E+4n/an/an/an/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)

More data for this
Ligand-Target Pair