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SMILES: O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cnco1)c1ccccc1

InChI Key: InChIKey=BLLAQRAZEZJQEN-JTDSTZFVSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50341957   
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))
BDBM50341957
PNG
(CHEMBL1765283 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cnco1)c1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O3/c22-18(17-12-20-13-24-17)21-11-10-19(23,14-6-2-1-3-7-14)15-8-4-5-9-16(15)21/h1-3,6-7,12-13,15-16,23H,4-5,8-11H2/t15-,16+,19-/m1/s1
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 156n/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))
BDBM50341957
PNG
(CHEMBL1765283 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cnco1)c1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O3/c22-18(17-12-20-13-24-17)21-11-10-19(23,14-6-2-1-3-7-14)15-8-4-5-9-16(15)21/h1-3,6-7,12-13,15-16,23H,4-5,8-11H2/t15-,16+,19-/m1/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.45E+3n/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