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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM260082'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM260082
PNG
(US9522886, 30 | US9522886, 34)
Show SMILES NC(=O)CC(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CCOCC1
Show InChI InChI=1S/C21H29N3O4/c22-19(25)11-18(15-7-9-27-10-8-15)23-20(26)17-6-5-16(14-3-4-14)21(24-17)28-12-13-1-2-13/h5-6,13-15,18H,1-4,7-12H2,(H2,22,25)(H,23,26)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.20n/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 2


(Homo sapiens (Human))
BDBM260082
PNG
(US9522886, 30 | US9522886, 34)
Show SMILES NC(=O)CC(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C1CCOCC1
Show InChI InChI=1S/C21H29N3O4/c22-19(25)11-18(15-7-9-27-10-8-15)23-20(26)17-6-5-16(14-3-4-14)21(24-17)28-12-13-1-2-13/h5-6,13-15,18H,1-4,7-12H2,(H2,22,25)(H,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8.30n/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