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SMILES: NC(=O)CC(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CCCCC1

InChI Key: InChIKey=RJFPQEQTAJLPSJ-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 4 hits for monomerid = 260069   
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 2


(Homo sapiens (Human))
BDBM260069
PNG
(US9522886, 17 | US9522886, 18)
Show SMILES NC(=O)CC(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CCCCC1
Show InChI InChI=1S/C22H31N3O3/c23-20(26)12-19(16-4-2-1-3-5-16)24-21(27)18-11-10-17(15-8-9-15)22(25-18)28-13-14-6-7-14/h10-11,14-16,19H,1-9,12-13H2,(H2,23,26)(H,24,27)
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n/an/an/an/a 6.20n/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 1


(Homo sapiens (Human))
BDBM260069
PNG
(US9522886, 17 | US9522886, 18)
Show SMILES NC(=O)CC(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CCCCC1
Show InChI InChI=1S/C22H31N3O3/c23-20(26)12-19(16-4-2-1-3-5-16)24-21(27)18-11-10-17(15-8-9-15)22(25-18)28-13-14-6-7-14/h10-11,14-16,19H,1-9,12-13H2,(H2,23,26)(H,24,27)
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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 1


(Homo sapiens (Human))
BDBM260069
PNG
(US9522886, 17 | US9522886, 18)
Show SMILES NC(=O)CC(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CCCCC1
Show InChI InChI=1S/C22H31N3O3/c23-20(26)12-19(16-4-2-1-3-5-16)24-21(27)18-11-10-17(15-8-9-15)22(25-18)28-13-14-6-7-14/h10-11,14-16,19H,1-9,12-13H2,(H2,23,26)(H,24,27)
PDB

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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))
BDBM260069
PNG
(US9522886, 17 | US9522886, 18)
Show SMILES NC(=O)CC(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CCCCC1
Show InChI InChI=1S/C22H31N3O3/c23-20(26)12-19(16-4-2-1-3-5-16)24-21(27)18-11-10-17(15-8-9-15)22(25-18)28-13-14-6-7-14/h10-11,14-16,19H,1-9,12-13H2,(H2,23,26)(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
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US Patent
n/an/an/an/a 1.5n/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