BindingDB logo
myBDB logout

BDBM221177 US9303012, 103

SMILES: FC1(F)CC11CCN(C1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1

InChI Key: InChIKey=COPSTCBNWLVZAK-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 = 221177   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM221177
PNG
(US9303012, 103)
Show SMILES FC1(F)CC11CCN(C1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H21F4N3O2/c20-18(21)10-26(11-18)14-4-3-13(24-15(14)28-7-12-1-2-12)16(27)25-6-5-17(9-25)8-19(17,22)23/h3-4,12H,1-2,5-11H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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))
BDBM221177
PNG
(US9303012, 103)
Show SMILES FC1(F)CC11CCN(C1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C19H21F4N3O2/c20-18(21)10-26(11-18)14-4-3-13(24-15(14)28-7-12-1-2-12)16(27)25-6-5-17(9-25)8-19(17,22)23/h3-4,12H,1-2,5-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.80n/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