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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 = 'BDBM50277228'   
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))
BDBM50277228
PNG
(4-(5-(5-tert-butyl-4H-1,2,4-triazol-3-yl)-2-methyl...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc([nH]1)C(C)(C)C
Show InChI InChI=1S/C17H24N4O3S/c1-12-5-6-13(15-18-16(20-19-15)17(2,3)4)11-14(12)25(22,23)21-7-9-24-10-8-21/h5-6,11H,7-10H2,1-4H3,(H,18,19,20)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
530n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB1 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair