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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 = 'BDBM50305398'   
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))
BDBM50305398
PNG
(CHEMBL602705 | N-(3-chlorobenzyl)-1-(2-chloropheny...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C25H17Cl3N4O/c26-18-10-8-17(9-11-18)24-20(12-13-29)23(31-32(24)22-7-2-1-6-21(22)28)25(33)30-15-16-4-3-5-19(27)14-16/h1-11,14H,12,15H2,(H,30,33)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/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