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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 = 'BDBM50062499'   
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))
BDBM50062499
PNG
(CHEMBL3397449)
Show SMILES COc1c(C)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccccc1 |r,wU:15.16,wD:12.12,(-7.74,3.22,;-6.68,3.84,;-5.34,3.08,;-4.01,3.85,;-4.01,5.08,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-9.33,-.79,;-10.66,-1.56,;-10.66,-3.1,;-11.72,-3.72,;-9.32,-3.87,;-7.99,-3.1,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1/C22H27NO2/c1-15-9-11-19(12-10-15)23-22(24)20-14-18(13-16(2)21(20)25-3)17-7-5-4-6-8-17/h4-8,13-15,19H,9-12H2,1-3H3,(H,23,24)/t15-,19-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.53E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 90: 526-36 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.066
BindingDB Entry DOI: 10.7270/Q270833D
More data for this
Ligand-Target Pair