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BDBM50341921 CHEMBL1765153::trans-((4R,4aS,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(phenyl)methanone

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

InChI Key: InChIKey=LAEJFMXDNTZBEC-ONTIZHBOSA-N

Data: 2 IC50

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 2 hits for monomerid = 50341921   
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 2


(Homo sapiens (Human))
BDBM50341921
PNG
(CHEMBL1765153 | trans-((4R,4aS,8aS)-4-hydroxy-4-ph...)
Show SMILES O[C@@]1(CCN([C@H]2CCCC[C@H]12)C(=O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-21(17-9-3-1-4-10-17)23-16-15-22(25,18-11-5-2-6-12-18)19-13-7-8-14-20(19)23/h1-6,9-12,19-20,25H,7-8,13-16H2/t19-,20-,22-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 45n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341921
PNG
(CHEMBL1765153 | trans-((4R,4aS,8aS)-4-hydroxy-4-ph...)
Show SMILES O[C@@]1(CCN([C@H]2CCCC[C@H]12)C(=O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-21(17-9-3-1-4-10-17)23-16-15-22(25,18-11-5-2-6-12-18)19-13-7-8-14-20(19)23/h1-6,9-12,19-20,25H,7-8,13-16H2/t19-,20-,22-/m0/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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