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BDBM50329137 1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-5-methoxy-1H-indol-2-ylsulfonyl)piperidin-4-yl)methyl)methanesulfonamide::CHEMBL1270579

SMILES: COc1ccc2n(c(cc2c1)S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccccc1F

InChI Key: InChIKey=PACLTQUNLBYGBX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329137   
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))
BDBM50329137
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES COc1ccc2n(c(cc2c1)S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H23F4N3O7S3/c1-36-17-6-7-19-16(12-17)13-21(29(19)37(30,31)20-5-3-2-4-18(20)23)38(32,33)28-10-8-15(9-11-28)14-27-39(34,35)22(24,25)26/h2-7,12-13,15,27H,8-11,14H2,1H3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
0.800n/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