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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 = 'BDBM50305391'   
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))
BDBM50305391
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(met...)
Show SMILES CS(=O)(=O)C1CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C24H22Cl2N4O3S/c1-34(32,33)18-11-14-29(15-12-18)24(31)22-19(10-13-27)23(16-6-8-17(25)9-7-16)30(28-22)21-5-3-2-4-20(21)26/h2-9,18H,10-12,14-15H2,1H3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair