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SMILES: COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1

InChI Key: InChIKey=ABVYYLMONIBFMA-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50029786   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50029786
PNG
(5-(3-Hydroxy-phenyl)-8-[1-(4-methoxy-phenyl)-meth-...)
Show SMILES COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
Show InChI InChI=1S/C23H25NO3/c1-24-11-10-23(17-4-3-5-18(25)13-17)14-21(24)20(22(26)15-23)12-16-6-8-19(27-2)9-7-16/h3-9,12-13,21,25H,10-11,14-15H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-(+)-pentazocine binding to guinea pig brain Sigma receptor type 1


J Med Chem 38: 4776-85 (1996)


BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50029786
PNG
(5-(3-Hydroxy-phenyl)-8-[1-(4-methoxy-phenyl)-meth-...)
Show SMILES COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
Show InChI InChI=1S/C23H25NO3/c1-24-11-10-23(17-4-3-5-18(25)13-17)14-21(24)20(22(26)15-23)12-16-6-8-19(27-2)9-7-16/h3-9,12-13,21,25H,10-11,14-15H2,1-2H3
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7.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-DADLE binding to rat brain delta receptor


J Med Chem 38: 4776-85 (1996)


BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50029786
PNG
(5-(3-Hydroxy-phenyl)-8-[1-(4-methoxy-phenyl)-meth-...)
Show SMILES COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
Show InChI InChI=1S/C23H25NO3/c1-24-11-10-23(17-4-3-5-18(25)13-17)14-21(24)20(22(26)15-23)12-16-6-8-19(27-2)9-7-16/h3-9,12-13,21,25H,10-11,14-15H2,1-2H3
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18.4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-(+)-pentazocine binding to guinea pig brain Sigma receptor type 1


J Med Chem 38: 4776-85 (1996)


BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50029786
PNG
(5-(3-Hydroxy-phenyl)-8-[1-(4-methoxy-phenyl)-meth-...)
Show SMILES COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
Show InChI InChI=1S/C23H25NO3/c1-24-11-10-23(17-4-3-5-18(25)13-17)14-21(24)20(22(26)15-23)12-16-6-8-19(27-2)9-7-16/h3-9,12-13,21,25H,10-11,14-15H2,1-2H3
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27n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-DAMGO binding to rat brain Opioid receptor mu 1


J Med Chem 38: 4776-85 (1996)


BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50029786
PNG
(5-(3-Hydroxy-phenyl)-8-[1-(4-methoxy-phenyl)-meth-...)
Show SMILES COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
Show InChI InChI=1S/C23H25NO3/c1-24-11-10-23(17-4-3-5-18(25)13-17)14-21(24)20(22(26)15-23)12-16-6-8-19(27-2)9-7-16/h3-9,12-13,21,25H,10-11,14-15H2,1-2H3
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27n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-DAMGO binding to rat brain Opioid receptor mu 1


J Med Chem 38: 4776-85 (1996)


BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50029786
PNG
(5-(3-Hydroxy-phenyl)-8-[1-(4-methoxy-phenyl)-meth-...)
Show SMILES COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
Show InChI InChI=1S/C23H25NO3/c1-24-11-10-23(17-4-3-5-18(25)13-17)14-21(24)20(22(26)15-23)12-16-6-8-19(27-2)9-7-16/h3-9,12-13,21,25H,10-11,14-15H2,1-2H3
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>500n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-U69,593 binding to guinea pig Opioid receptor kappa 1


J Med Chem 38: 4776-85 (1996)


BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50029786
PNG
(5-(3-Hydroxy-phenyl)-8-[1-(4-methoxy-phenyl)-meth-...)
Show SMILES COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
Show InChI InChI=1S/C23H25NO3/c1-24-11-10-23(17-4-3-5-18(25)13-17)14-21(24)20(22(26)15-23)12-16-6-8-19(27-2)9-7-16/h3-9,12-13,21,25H,10-11,14-15H2,1-2H3
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>500n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-DADLE binding to rat brain delta receptor


J Med Chem 38: 4776-85 (1996)


BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair