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BDBM260072 US9522886, 20

SMILES: NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1

InChI Key: InChIKey=WZYWZJBPRBZKFR-KGLIPLIRSA-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 = 260072   
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))
BDBM260072
PNG
(US9522886, 20)
Show SMILES NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C20H26F2N4O3/c21-20(22)10-26(11-20)16-8-7-15(25-19(16)29-9-12-5-6-12)18(28)24-14-4-2-1-3-13(14)17(23)27/h7-8,12-14H,1-6,9-11H2,(H2,23,27)(H,24,28)/t13-,14+/m1/s1
PDB

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KEGG

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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))
BDBM260072
PNG
(US9522886, 20)
Show SMILES NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C20H26F2N4O3/c21-20(22)10-26(11-20)16-8-7-15(25-19(16)29-9-12-5-6-12)18(28)24-14-4-2-1-3-13(14)17(23)27/h7-8,12-14H,1-6,9-11H2,(H2,23,27)(H,24,28)/t13-,14+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 15.8n/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