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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM210635'   
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 1


(Homo sapiens (Human))
BDBM210635
PNG
(US9290451, 312)
Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(c(OCC2CC2)n1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N2O4/c1-4-18(5-2,17(26)27-6-3)24-15(25)14-10-9-13(19(20,21)22)16(23-14)28-11-12-7-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair