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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 = 'BDBM50278520'   
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


(Rattus norvegicus (rat))
BDBM50278520
PNG
(1-(6-(1,3-dithiolan-2-yl)-2,2-dimethyl-2H-chromen-...)
Show SMILES CCOC(=O)C(=C\C=C\c1ccccc1)\C(=O)Oc1c(ccc2OC(C)(C)C=Cc12)C1SCCS1 |c:28|
Show InChI InChI=1S/C28H28O5S2/c1-4-31-25(29)22(12-8-11-19-9-6-5-7-10-19)26(30)32-24-20-15-16-28(2,3)33-23(20)14-13-21(24)27-34-17-18-35-27/h5-16,27H,4,17-18H2,1-3H3/b11-8+,22-12-
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PC cid
PC sid
UniChem
Article
PubMed
1.37E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair