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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50325597'   
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 2


(Homo sapiens (Human))
BDBM50325597
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:28:27:25:21.22.23,THB:28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,18:19:25:21.22.23,(10.83,-.95,;12.36,-.79,;13.27,-2.03,;14.8,-1.87,;15.71,-3.12,;17.24,-2.96,;18.27,-4.1,;19.67,-3.48,;19.51,-1.94,;18.01,-1.62,;17.38,-.22,;18.29,1.03,;17.66,2.44,;16.13,2.6,;15.22,1.35,;15.85,-.06,;21.01,-4.25,;21.01,-5.79,;22.34,-3.47,;23.84,-3.82,;25.59,-3.75,;26.2,-5.02,;27.44,-5.75,;28.52,-4.67,;27.92,-3.29,;26.63,-2.68,;26.32,-3.44,;25.21,-4.58,;25.82,-5.96,)|
Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(19-8-6-4-7-9-19)16-28(27-23)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4,6-9,17-18,20-22,24H,2-3,5,10-16H2,1H3,(H,26,29)
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Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair