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BDBM50329154 1,1,1-trifluoro-N-(6-(1-(2-fluorophenylsulfonyl)-1H-indol-2-ylsulfonyl)-6-azaspiro[3.4]octan-2-yl)methanesulfonamide::CHEMBL1270679

SMILES: Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CCC2(CC(C2)NS(=O)(=O)C(F)(F)F)C1

InChI Key: InChIKey=OSJLIPOHUSWCQJ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329154   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50329154
PNG
(1,1,1-trifluoro-N-(6-(1-(2-fluorophenylsulfonyl)-1...)
Show SMILES Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CCC2(CC(C2)NS(=O)(=O)C(F)(F)F)C1 |(17.5,-27.97,;18.83,-28.75,;18.82,-30.29,;20.15,-31.07,;21.49,-30.3,;21.49,-28.76,;20.17,-27.99,;20.18,-26.45,;18.84,-27.21,;21.5,-27.23,;20.19,-24.91,;21.09,-23.65,;20.17,-22.4,;18.7,-22.89,;17.36,-22.13,;16.04,-22.9,;16.03,-24.44,;17.37,-25.21,;18.71,-24.44,;22.63,-23.64,;23.41,-24.97,;23.39,-22.31,;24.17,-23.64,;25.07,-22.39,;26.53,-22.85,;26.54,-24.39,;26.54,-25.93,;28.08,-25.93,;28.08,-24.39,;29.17,-27.02,;28.77,-28.5,;29.86,-29.59,;27.22,-28.5,;27.98,-29.83,;27.27,-31.03,;26.4,-30.07,;28.54,-31.34,;25.08,-24.87,)|
Show InChI InChI=1S/C22H21F4N3O6S3/c23-17-6-2-4-8-19(17)36(30,31)29-18-7-3-1-5-15(18)11-20(29)37(32,33)28-10-9-21(14-28)12-16(13-21)27-38(34,35)22(24,25)26/h1-8,11,16,27H,9-10,12-14H2
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 452n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor

Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair