new BindingDB logo
myBDB logout

BDBM50265686 (S)-2-(4-bromo-N-(4-ethoxyphenyl)phenylsulfonamido)-N-sec-butylacetamide::CHEMBL496578

SMILES: CCOc1ccc(cc1)N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c1ccc(Br)cc1

InChI Key: InChIKey=XZXYNHFMRCYUJT-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 = 50265686   
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 1


(Homo sapiens (Human))
BDBM50265686
PNG
((S)-2-(4-bromo-N-(4-ethoxyphenyl)phenylsulfonamido...)
Show SMILES CCOc1ccc(cc1)N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C20H25BrN2O4S/c1-4-15(3)22-20(24)14-23(17-8-10-18(11-9-17)27-5-2)28(25,26)19-12-6-16(21)7-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>50n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor


J Med Chem 52: 369-78 (2009)


Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2
More data for this
Ligand-Target Pair