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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 = 'BDBM50310016'   
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))
BDBM50310016
PNG
((4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromopheny...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCN(CC2)c2ccccc2)c(Cn2cncn2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C29H24BrCl2N7O/c30-21-8-6-20(7-9-21)28-24(17-38-19-33-18-34-38)27(35-39(28)26-11-10-22(31)16-25(26)32)29(40)37-14-12-36(13-15-37)23-4-2-1-3-5-23/h1-11,16,18-19H,12-15,17H2
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.5n/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