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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 = 'BDBM50023692'   
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))
BDBM50023692
PNG
(CHEMBL3341868)
Show SMILES CCCNc1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H21ClN4O/c1-2-13-23-20-8-4-7-19(26-20)15-5-3-6-18(14-15)25-21(27)24-17-11-9-16(22)10-12-17/h3-12,14H,2,13H2,1H3,(H,23,26)(H2,24,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 311n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor stably expressed in CHO-RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization afte...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair