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BDBM221158 US9303012, 84

SMILES: CC1(C)CCCN1C(=O)c1ccc(C2CC2)c(OCC(F)(F)C(F)(F)F)n1

InChI Key: InChIKey=IOFPWYZJWOEALQ-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 = 221158   
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))
BDBM221158
PNG
(US9303012, 84)
Show SMILES CC1(C)CCCN1C(=O)c1ccc(C2CC2)c(OCC(F)(F)C(F)(F)F)n1
Show InChI InChI=1S/C18H21F5N2O2/c1-16(2)8-3-9-25(16)15(26)13-7-6-12(11-4-5-11)14(24-13)27-10-17(19,20)18(21,22)23/h6-7,11H,3-5,8-10H2,1-2H3
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



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))
BDBM221158
PNG
(US9303012, 84)
Show SMILES CC1(C)CCCN1C(=O)c1ccc(C2CC2)c(OCC(F)(F)C(F)(F)F)n1
Show InChI InChI=1S/C18H21F5N2O2/c1-16(2)8-3-9-25(16)15(26)13-7-6-12(11-4-5-11)14(24-13)27-10-17(19,20)18(21,22)23/h6-7,11H,3-5,8-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 18.9n/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