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BDBM260060 US9522886, 8

SMILES: CNC(=O)CC(CCc1ccccc1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1

InChI Key: InChIKey=KTUOGFSNWGPPCZ-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 = 260060   
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))
BDBM260060
PNG
(US9522886, 8)
Show SMILES CNC(=O)CC(CCc1ccccc1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C25H30F2N4O3/c1-28-22(32)13-19(10-9-17-5-3-2-4-6-17)29-23(33)20-11-12-21(31-15-25(26,27)16-31)24(30-20)34-14-18-7-8-18/h2-6,11-12,18-19H,7-10,13-16H2,1H3,(H,28,32)(H,29,33)
PDB

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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))
BDBM260060
PNG
(US9522886, 8)
Show SMILES CNC(=O)CC(CCc1ccccc1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C25H30F2N4O3/c1-28-22(32)13-19(10-9-17-5-3-2-4-6-17)29-23(33)20-11-12-21(31-15-25(26,27)16-31)24(30-20)34-14-18-7-8-18/h2-6,11-12,18-19H,7-10,13-16H2,1H3,(H,28,32)(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 301n/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