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SMILES: Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1

InChI Key: InChIKey=OZYUPQUCAUTOBP-QXAKKESOSA-N

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 7 hits for monomerid = 50326673   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50326673
PNG
((levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
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PubMed
1.70n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNalA from MOR-1 expressed in CHO cells


Bioorg Med Chem Lett 21: 4001-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.008
BindingDB Entry DOI: 10.7270/Q29C6ZDF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50326673
PNG
((levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBOxyA from MOR-1 expressed in CHO cells


Bioorg Med Chem Lett 21: 4001-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.008
BindingDB Entry DOI: 10.7270/Q29C6ZDF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326673
PNG
((levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
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n/an/a 0.634n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting


Eur J Med Chem 46: 4992-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.006
BindingDB Entry DOI: 10.7270/Q27S7P5W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50326673
PNG
((levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from MOR-1 expressed in CHO cells


Bioorg Med Chem Lett 21: 4001-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.008
BindingDB Entry DOI: 10.7270/Q29C6ZDF
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50326673
PNG
((levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of [3H]naloxone binding to opioid receptor in presence of NaCl


J Med Chem 32: 418-21 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6VG1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50326673
PNG
((levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50326673
PNG
((levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of [3H]naloxone binding to opioid receptor in presence of NaCl


J Med Chem 32: 418-21 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6VG1
More data for this
Ligand-Target Pair