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BDBM50324364 4-Decyloxy-3-phenylsulfonylfuroxan::CHEMBL1215646

SMILES: CCCCCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=BLWYYRNWYFXCHB-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50324364   
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
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50324364
PNG
(4-Decyloxy-3-phenylsulfonylfuroxan | CHEMBL1215646)
Show SMILES CCCCCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O5S/c1-2-3-4-5-6-7-8-12-15-24-17-18(20(21)25-19-17)26(22,23)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.31E+3n/an/an/an/a



Universita degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay


J Med Chem 53: 5467-75 (2010)


Article DOI: 10.1021/jm100066y
BindingDB Entry DOI: 10.7270/Q2JH3MC8
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50324364
PNG
(4-Decyloxy-3-phenylsulfonylfuroxan | CHEMBL1215646)
Show SMILES CCCCCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O5S/c1-2-3-4-5-6-7-8-12-15-24-17-18(20(21)25-19-17)26(22,23)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.00E+3n/an/an/an/a



Universita degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay


J Med Chem 53: 5467-75 (2010)


Article DOI: 10.1021/jm100066y
BindingDB Entry DOI: 10.7270/Q2JH3MC8
More data for this
Ligand-Target Pair