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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 = 'BDBM50310059'   
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))
BDBM50310059
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chloropheny...)
Show SMILES Clc1ccc(cc1)-c1c(Cn2cncn2)c(nn1-c1ccccc1Cl)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C26H26Cl2N6O/c27-20-12-10-19(11-13-20)25-21(15-33-17-29-16-31-33)24(26(35)30-14-18-6-2-1-3-7-18)32-34(25)23-9-5-4-8-22(23)28/h4-5,8-13,16-18H,1-3,6-7,14-15H2,(H,30,35)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.2n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 18: 1149-62 (2010)


Article DOI: 10.1016/j.bmc.2009.12.040
BindingDB Entry DOI: 10.7270/Q2TD9XG2
More data for this
Ligand-Target Pair