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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 = 'BDBM50332876'   
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))
BDBM50332876
PNG
(1-(2,4-Dichlorophenyl)-N-hexyl-4-methyl-5-(1H-pyrr...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H24Cl2N4O/c1-3-4-5-6-11-24-20(28)19-15(2)21(26-12-7-8-13-26)27(25-19)18-10-9-16(22)14-17(18)23/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
124n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair