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BDBM50067446 3-((R)-2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::CHEMBL133815

SMILES: C[C@H]1C2CCCC1(CCN2C)c1cccc(O)c1

InChI Key: InChIKey=JBSRPCWYMOJXAM-JQRITLKVSA-N

Data: 6 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 6 hits for monomerid = 50067446   
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)
BDBM50067446
PNG
(3-((R)-2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-...)
Show SMILES C[C@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m0/s1
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Article
PubMed
21n/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))
BDBM50067446
PNG
(3-((R)-2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-...)
Show SMILES C[C@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m0/s1
PDB

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PC sid
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Article
PubMed
105n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50067446
PNG
(3-((R)-2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-...)
Show SMILES C[C@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m0/s1
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166n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50067446
PNG
(3-((R)-2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-...)
Show SMILES C[C@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m0/s1
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750n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50067446
PNG
(3-((R)-2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-...)
Show SMILES C[C@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m0/s1
PDB

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PC sid
UniChem

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Article
PubMed
816n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against Opioid 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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50067446
PNG
(3-((R)-2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-...)
Show SMILES C[C@H]1C2CCCC1(CCN2C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m0/s1
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>1.00E+4n/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