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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 = 'BDBM50380717'   
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))
BDBM50380717
PNG
(CHEMBL2017678)
Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)-c1nsc(CN2CCN(CC(N)=O)CC2)n1
Show InChI InChI=1S/C24H32N6O3S/c1-32-20-4-2-3-18-19(14-30(23(18)20)13-17-5-11-33-12-6-17)24-26-22(34-27-24)16-29-9-7-28(8-10-29)15-21(25)31/h2-4,14,17H,5-13,15-16H2,1H3,(H2,25,31)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.31n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair