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BDBM50067447 3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::CHEMBL334898

SMILES: C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1

InChI Key: InChIKey=FJRARMQVERMSNJ-NWLLBJEDSA-N

Data: 9 KI

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 9 hits for monomerid = 50067447   
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


(GUINEA PIG)
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [35S]-GTP-gammaS, binding in guinea pig caudate stimulated by DAMGO (Opioid receptor mu 1)


J Med Chem 41: 4143-9 (1998)


Article DOI: 10.1021/jm980290i
BindingDB Entry DOI: 10.7270/Q2RB73Q6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [35S]-GTP-gammaS, binding in guinea pig caudate stimulated by U69,593 in Opioid receptor kappa 1


J Med Chem 41: 4143-9 (1998)


Article DOI: 10.1021/jm980290i
BindingDB Entry DOI: 10.7270/Q2RB73Q6
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in rat brain membranes.


J Med Chem 41: 4143-9 (1998)


Article DOI: 10.1021/jm980290i
BindingDB Entry DOI: 10.7270/Q2RB73Q6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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3.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [35S]-GTP-gammaS, binding in guinea pig caudate stimulated by SNC80 (Opioid receptor delta 1)


J Med Chem 41: 4143-9 (1998)


Article DOI: 10.1021/jm980290i
BindingDB Entry DOI: 10.7270/Q2RB73Q6
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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15n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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15n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against kOpioid receptor kappa 1 using [3H]U69,593 as radioligand in guinea pig membranes .


J Med Chem 41: 4143-9 (1998)


Article DOI: 10.1021/jm980290i
BindingDB Entry DOI: 10.7270/Q2RB73Q6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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270n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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272n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in rat brain membranes.


J Med Chem 41: 4143-9 (1998)


Article DOI: 10.1021/jm980290i
BindingDB Entry DOI: 10.7270/Q2RB73Q6
More data for this
Ligand-Target Pair