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SMILES: CCCCOc1ccc(cc1)C(=O)Nc1ccc2nc(SCc3c(C)cc(C)c(C(C)=O)c3C)sc2c1

InChI Key: InChIKey=XJQMMHCQUJOAQW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50370896   
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))		BDBM50370896
PNG
(CHEMBL389268)
Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc2nc(SCc3c(C)cc(C)c(C(C)=O)c3C)sc2c1
Show InChI InChI=1S/C30H32N2O3S2/c1-6-7-14-35-24-11-8-22(9-12-24)29(34)31-23-10-13-26-27(16-23)37-30(32-26)36-17-25-18(2)15-19(3)28(20(25)4)21(5)33/h8-13,15-16H,6-7,14,17H2,1-5H3,(H,31,34)
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PC sid
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Similars
Article
PubMed
n/an/an/an/a 97n/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