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SMILES: COc1ccc(CCC(=O)c2ccccc2OCC(O)CN2CCN(CC2)c2ccccc2C)cc1

InChI Key: InChIKey=VCPQHBLOQNAZDS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50207969   
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
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50207969
PNG
(1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy...)
Show SMILES COc1ccc(CCC(=O)c2ccccc2OCC(O)CN2CCN(CC2)c2ccccc2C)cc1
Show InChI InChI=1S/C30H36N2O4/c1-23-7-3-5-9-28(23)32-19-17-31(18-20-32)21-25(33)22-36-30-10-6-4-8-27(30)29(34)16-13-24-11-14-26(35-2)15-12-24/h3-12,14-15,25,33H,13,16-22H2,1-2H3
PDB

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 14n/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