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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 = 'BDBM50381882'   
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))
BDBM50381882
PNG
(CHEMBL2022694)
Show SMILES Oc1c(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c2ncccc12
Show InChI InChI=1S/C22H30N4O4/c27-19-17-8-5-9-23-20(17)26(11-10-25-12-14-30-15-13-25)22(29)18(19)21(28)24-16-6-3-1-2-4-7-16/h5,8-9,16,27H,1-4,6-7,10-15H2,(H,24,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
234n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair