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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 = 'BDBM259988'   
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))
BDBM259988
PNG
(US9512132, 24)
Show SMILES COc1ccc(Cn2ncc3c(cc(nc23)C2CC2)N2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C21H22F2N4O/c1-28-16-6-2-14(3-7-16)12-27-20-17(11-24-27)19(10-18(25-20)15-4-5-15)26-9-8-21(22,23)13-26/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3
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 18n/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 US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM259988
PNG
(US9512132, 24)
Show SMILES COc1ccc(Cn2ncc3c(cc(nc23)C2CC2)N2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C21H22F2N4O/c1-28-16-6-2-14(3-7-16)12-27-20-17(11-24-27)19(10-18(25-20)15-4-5-15)26-9-8-21(22,23)13-26/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17.5n/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 US9512132 (2016)


BindingDB Entry DOI: 10.7270/Q2P26X39
More data for this
Ligand-Target Pair