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BDBM83452 (+)--alpha--Propoxyphene hydrochloride::MLS002320725::SMR001338871::[(3R)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate;hydrochloride::[(3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride::cid_44246734::propanoic acid [(3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester;hydrochloride::propionic acid [(2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] ester;hydrochloride

SMILES: CCC(=O)OC(Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1

InChI Key: InChIKey=XLMALTXPSGQGBX-ZZWBGTBQSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83452   
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))
BDBM83452
PNG
((+)--alpha--Propoxyphene hydrochloride | MLS002320...)
Show SMILES CCC(=O)OC(Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1
Show InChI InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22?/m1/s1
PDB

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Similars

PCBioAssay
n/an/an/an/a 8.64E+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)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair