BDBM50306000 CHEMBL596133::N-(6-(5-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)-6-azaspiro[2.5]octan-1-yl)methanesulfonamide

SMILES CS(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccc1F

InChI Key InChIKey=VWOJFPIKCAIJFK-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50306000   

TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306000(N-(6-(5-chloro-2-(2-fluorophenylsulfonyl)phenylsul...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306000(N-(6-(5-chloro-2-(2-fluorophenylsulfonyl)phenylsul...)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306000(N-(6-(5-chloro-2-(2-fluorophenylsulfonyl)phenylsul...)
Affinity DataKi:  122nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306000(N-(6-(5-chloro-2-(2-fluorophenylsulfonyl)phenylsul...)
Affinity DataKi:  122nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed