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BDBM50315372 CHEMBL1088917::benzyl 2-benzyl-1-(methylsulfonyl)pyrrolidine-2-carboxylate

SMILES: CS(=O)(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1

InChI Key: InChIKey=CJRFQEPRQVEVCZ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315372   
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
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315372
PNG
(CHEMBL1088917 | benzyl 2-benzyl-1-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H23NO4S/c1-26(23,24)21-14-8-13-20(21,15-17-9-4-2-5-10-17)19(22)25-16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.092
BindingDB Entry DOI: 10.7270/Q2BZ665C
More data for this
Ligand-Target Pair