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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 = 'BDBM260061'   
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))
BDBM260061
PNG
(US9522886, 10 | US9522886, 9)
Show SMILES CCCCC(CC(N)=O)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1/C20H29N3O3/c1-2-3-4-15(11-18(21)24)22-19(25)17-10-9-16(14-7-8-14)20(23-17)26-12-13-5-6-13/h9-10,13-15H,2-8,11-12H2,1H3,(H2,21,24)(H,22,25)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.300n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM260061
PNG
(US9522886, 10 | US9522886, 9)
Show SMILES CCCCC(CC(N)=O)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1/C20H29N3O3/c1-2-3-4-15(11-18(21)24)22-19(25)17-10-9-16(14-7-8-14)20(23-17)26-12-13-5-6-13/h9-10,13-15H,2-8,11-12H2,1H3,(H2,21,24)(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.10n/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)

More data for this
Ligand-Target Pair