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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 = 'BDBM50274779'   
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))
BDBM50274779
PNG
(CHEMBL458828 | N-Acetyl-glycine-(1S)-1-[[(2S,3S)-3...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC(C)=O |r|
Show InChI InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-13-14-15-17-22(31-25(29)20-27-21(3)28)19-24-23(26(30)32-24)18-16-9-7-5-2/h22-24H,4-20H2,1-3H3,(H,27,28)/t22-,23-,24-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair