BindingDB logo
myBDB logout

BDBM221131 US9303012, 57

SMILES: FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CCCC11CC1

InChI Key: InChIKey=HPHRSCZEEPEITI-UHFFFAOYSA-N

Data: 2 EC50

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 = 221131   
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))
BDBM221131
PNG
(US9303012, 57)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CCCC11CC1
Show InChI InChI=1S/C19H23F2N3O2/c20-19(21)11-23(12-19)15-5-4-14(22-16(15)26-10-13-2-3-13)17(25)24-9-1-6-18(24)7-8-18/h4-5,13H,1-3,6-12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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



HOFFMAN-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 US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM221131
PNG
(US9303012, 57)
Show SMILES FC1(F)CN(C1)c1ccc(nc1OCC1CC1)C(=O)N1CCCC11CC1
Show InChI InChI=1S/C19H23F2N3O2/c20-19(21)11-23(12-19)15-5-4-14(22-16(15)26-10-13-2-3-13)17(25)24-9-1-6-18(24)7-8-18/h4-5,13H,1-3,6-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.80n/an/an/a37



HOFFMAN-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 US9303012 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R7H
More data for this
Ligand-Target Pair