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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 = 'BDBM260064'   
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))
BDBM260064
PNG
(US9522886, 12 | US9522886, 15)
Show SMILES NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C20H27N3O3/c21-18(24)15-3-1-2-4-16(15)22-19(25)17-10-9-14(13-7-8-13)20(23-17)26-11-12-5-6-12/h9-10,12-13,15-16H,1-8,11H2,(H2,21,24)(H,22,25)/t15-,16+/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.90n/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))
BDBM260064
PNG
(US9522886, 12 | US9522886, 15)
Show SMILES NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 |r|
Show InChI InChI=1S/C20H27N3O3/c21-18(24)15-3-1-2-4-16(15)22-19(25)17-10-9-14(13-7-8-13)20(23-17)26-11-12-5-6-12/h9-10,12-13,15-16H,1-8,11H2,(H2,21,24)(H,22,25)/t15-,16+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 15.9n/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