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SMILES: CC(C)CC(CC(=O)OC(C)(C)C)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1

InChI Key: InChIKey=XQKKWPNUPQVNQK-UHFFFAOYSA-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 = 260055   
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))
BDBM260055
PNG
(US9522886, 2)
Show SMILES CC(C)CC(CC(=O)OC(C)(C)C)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C24H35F2N3O4/c1-15(2)10-17(11-20(30)33-23(3,4)5)27-21(31)18-8-9-19(29-13-24(25,26)14-29)22(28-18)32-12-16-6-7-16/h8-9,15-17H,6-7,10-14H2,1-5H3,(H,27,31)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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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 US9522886 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM260055
PNG
(US9522886, 2)
Show SMILES CC(C)CC(CC(=O)OC(C)(C)C)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C24H35F2N3O4/c1-15(2)10-17(11-20(30)33-23(3,4)5)27-21(31)18-8-9-19(29-13-24(25,26)14-29)22(28-18)32-12-16-6-7-16/h8-9,15-17H,6-7,10-14H2,1-5H3,(H,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 676n/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 US9522886 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair