BindingDB logo
myBDB logout

null

SMILES: O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ncccn1)c1ccccc1

InChI Key: InChIKey=FDTYAXCNZRGUIM-FUHIMQAGSA-N

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 = 50341954   
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))
BDBM50341954
PNG
(CHEMBL1765280 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ncccn1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c24-19(18-21-12-6-13-22-18)23-14-11-20(25,15-7-2-1-3-8-15)16-9-4-5-10-17(16)23/h1-3,6-8,12-13,16-17,25H,4-5,9-11,14H2/t16-,17+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 29n/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))
BDBM50341954
PNG
(CHEMBL1765280 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...)
Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ncccn1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c24-19(18-21-12-6-13-22-18)23-14-11-20(25,15-7-2-1-3-8-15)16-9-4-5-10-17(16)23/h1-3,6-8,12-13,16-17,25H,4-5,9-11,14H2/t16-,17+,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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