BindingDB logo
myBDB logout

null

SMILES: C[C@@H]1CCCN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1

InChI Key: InChIKey=MJOBLMCVCVMOJT-LLVKDONJSA-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 = 260003   
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))
BDBM260003
PNG
(US9512141, 1)
Show SMILES C[C@@H]1CCCN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H23N3O2/c1-11-3-2-8-20(11)17(21)14-9-18-15(13-6-7-13)16(19-14)22-10-12-4-5-12/h9,11-13H,2-8,10H2,1H3/t11-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM260003
PNG
(US9512141, 1)
Show SMILES C[C@@H]1CCCN1C(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C17H23N3O2/c1-11-3-2-8-20(11)17(21)14-9-18-15(13-6-7-13)16(19-14)22-10-12-4-5-12/h9,11-13H,2-8,10H2,1H3/t11-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 57.3n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9512141 (2016)


BindingDB Entry DOI: 10.7270/Q2JD4VQ0
More data for this
Ligand-Target Pair