new BindingDB logo
myBDB logout

BDBM50172168 CHEMBL370824::N-((S)-1-{4-[2-(4-Chloro-benzenesulfonyl)-4-methoxy-benzenesulfonyl]-phenyl}-ethyl)-methanesulfonamide

SMILES: COc1ccc(c(c1)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O

InChI Key: InChIKey=HLXULUPQTMSQNX-HNNXBMFYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50172168   
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))
BDBM50172168
PNG
(CHEMBL370824 | N-((S)-1-{4-[2-(4-Chloro-benzenesul...)
Show SMILES COc1ccc(c(c1)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C22H22ClNO7S3/c1-15(24-32(3,25)26)16-4-9-19(10-5-16)33(27,28)21-13-8-18(31-2)14-22(21)34(29,30)20-11-6-17(23)7-12-20/h4-15,24H,1-3H3/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair