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BDBM50370877 CHEMBL222451

SMILES: CCc1ccc(cc1)N1C(Nc2ccccc2C1=O)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=VFHMVEMCNRRLPH-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50370877   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50370877
PNG
(CHEMBL222451)
Show SMILES CCc1ccc(cc1)N1C(Nc2ccccc2C1=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C29H26N2O2/c1-2-21-12-16-24(17-13-21)31-28(30-27-11-7-6-10-26(27)29(31)32)23-14-18-25(19-15-23)33-20-22-8-4-3-5-9-22/h3-19,28,30H,2,20H2,1H3
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Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/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