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BDBM82269 (+)-alpha-Propoxyphene::CAS_469-62-5::PROPOXYPHENE::Propoxyphene-d

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

InChI Key: InChIKey=XLMALTXPSGQGBX-GCJKJVERSA-N

Data: 5 KI  1 IC50  2 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 8 hits for monomerid = 82269   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM82269
PNG
((+)-alpha-Propoxyphene | CAS_469-62-5 | PROPOXYPHE...)
Show SMILES CCC(=O)O[C@@](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
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PubMed
34.5n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM82269
PNG
((+)-alpha-Propoxyphene | CAS_469-62-5 | PROPOXYPHE...)
Show SMILES CCC(=O)O[C@@](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
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380n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)

More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM82269
PNG
((+)-alpha-Propoxyphene | CAS_469-62-5 | PROPOXYPHE...)
Show SMILES CCC(=O)O[C@@](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
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1.22E+3n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82269
PNG
((+)-alpha-Propoxyphene | CAS_469-62-5 | PROPOXYPHE...)
Show SMILES CCC(=O)O[C@@](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
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>1.00E+4n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82269
PNG
((+)-alpha-Propoxyphene | CAS_469-62-5 | PROPOXYPHE...)
Show SMILES CCC(=O)O[C@@](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
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>1.00E+4n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)

More data for this
Ligand-Target Pair
Mas-related G protein-coupled receptor X2 (MRGPRX2)


(Homo sapiens (Human))
BDBM82269
PNG
((+)-alpha-Propoxyphene | CAS_469-62-5 | PROPOXYPHE...)
Show SMILES CCC(=O)O[C@@](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
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Article
PubMed
n/an/an/an/a 1.50E+4n/an/a7.430



University of North Carolina



Assay Description
HTLA cells (HEK-T cells stably expressing a β-arrestin2-TEV fusion protein and a tTa-dependent luciferase reporter) were maintained in DMEM (Cor...


Nat Chem Biol 13: 529-536 (2017)

More data for this
Ligand-Target Pair
Mas-related G protein-coupled receptor X2 (MRGPRX2)


(Homo sapiens (Human))
BDBM82269
PNG
((+)-alpha-Propoxyphene | CAS_469-62-5 | PROPOXYPHE...)
Show SMILES CCC(=O)O[C@@](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
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Article
PubMed
n/an/an/an/a 3.20E+4n/an/a7.430



University of North Carolina



Assay Description
MRGPRX2 stable cells were maintained in DMEM containing 10% FBS, 100 μg/ml hygromycin B, and 15 μg/ml blasticidin. For the calcium mobiliza...


Nat Chem Biol 13: 529-536 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM82269
PNG
((+)-alpha-Propoxyphene | CAS_469-62-5 | PROPOXYPHE...)
Show SMILES CCC(=O)O[C@@](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
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PubMed
n/an/a 2.75E+3n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)

More data for this
Ligand-Target Pair