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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 = 'BDBM50418214'   
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))
BDBM50418214
PNG
(CHEMBL1760660)
Show SMILES Cc1ccc(F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CCC1
Show InChI InChI=1S/C24H24FN3O2/c1-16-3-5-20(25)10-19(16)13-28-21-6-4-17(12-26)9-18(21)11-22(28)23(30)27-14-24(15-29)7-2-8-24/h3-6,9-11,29H,2,7-8,13-15H2,1H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair