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BDBM50341929 CHEMBL1765161::cis-((4R,4aS,8aR)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(quinolin-2-yl)methanone

SMILES: O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1

InChI Key: InChIKey=IPQBNXNMXNNORV-ZWSUVBHBSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50341929   
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))
BDBM50341929
PNG
(CHEMBL1765161 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N2O2/c28-24(22-15-14-18-8-4-6-12-21(18)26-22)27-17-16-25(29,19-9-2-1-3-10-19)20-11-5-7-13-23(20)27/h1-4,6,8-10,12,14-15,20,23,29H,5,7,11,13,16-17H2/t20-,23+,25-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.820n/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))
BDBM50341929
PNG
(CHEMBL1765161 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N2O2/c28-24(22-15-14-18-8-4-6-12-21(18)26-22)27-17-16-25(29,19-9-2-1-3-10-19)20-11-5-7-13-23(20)27/h1-4,6,8-10,12,14-15,20,23,29H,5,7,11,13,16-17H2/t20-,23+,25-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 188n/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