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BDBM50135004 1-(5-(benzyloxy)-2-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)-3-phenylpropan-1-one::1-[5-Benzyloxy-2-(2-hydroxy-3-piperidin-1-yl-propoxy)-phenyl]-3-phenyl-propan-1-one::CHEMBL343400

SMILES: OC(COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1)CN1CCCCC1

InChI Key: InChIKey=YRJZDYAKHCFJLP-UHFFFAOYNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135004   
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))
BDBM50135004
PNG
(1-(5-(benzyloxy)-2-(2-hydroxy-3-(piperidin-1-yl)pr...)
Show SMILES OC(COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1)CN1CCCCC1
Show InChI InChI=1/C30H35NO4/c32-26(21-31-18-8-3-9-19-31)23-35-30-17-15-27(34-22-25-12-6-2-7-13-25)20-28(30)29(33)16-14-24-10-4-1-5-11-24/h1-2,4-7,10-13,15,17,20,26,32H,3,8-9,14,16,18-19,21-23H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 172n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)


Article DOI: 10.1021/jm060604z
BindingDB Entry DOI: 10.7270/Q2SB46JC
More data for this
Ligand-Target Pair