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SMILES: CN1CCOC[C@H]1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1

InChI Key: InChIKey=PXJALOAVEBCCNR-XODKDNOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50341952   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341952
PNG
(((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...)
Show SMILES CN1CCOC[C@H]1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O3/c1-22-13-14-26-15-19(22)20(24)23-12-11-21(25,16-7-3-2-4-8-16)17-9-5-6-10-18(17)23/h2-4,7-8,17-19,25H,5-6,9-15H2,1H3/t17-,18+,19+,21-/m1/s1
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Article
PubMed
n/an/a>1.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50341952
PNG
(((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...)
Show SMILES CN1CCOC[C@H]1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O3/c1-22-13-14-26-15-19(22)20(24)23-12-11-21(25,16-7-3-2-4-8-16)17-9-5-6-10-18(17)23/h2-4,7-8,17-19,25H,5-6,9-15H2,1H3/t17-,18+,19+,21-/m1/s1
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Article
PubMed
n/an/a>1.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fors...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50341952
PNG
(((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...)
Show SMILES CN1CCOC[C@H]1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O3/c1-22-13-14-26-15-19(22)20(24)23-12-11-21(25,16-7-3-2-4-8-16)17-9-5-6-10-18(17)23/h2-4,7-8,17-19,25H,5-6,9-15H2,1H3/t17-,18+,19+,21-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fors...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341952
PNG
(((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...)
Show SMILES CN1CCOC[C@H]1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O3/c1-22-13-14-26-15-19(22)20(24)23-12-11-21(25,16-7-3-2-4-8-16)17-9-5-6-10-18(17)23/h2-4,7-8,17-19,25H,5-6,9-15H2,1H3/t17-,18+,19+,21-/m1/s1
PDB

Reactome pathway
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PC sid
UniChem

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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair