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SMILES: COc1ccc(cc1OC)C1=C(C(=O)N(C(=O)c2ccc(OCc3ccccc3)c(c2)[N+]([O-])=O)C1=O)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=DMTHFUKCGKGRJN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50109279   
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))		BDBM50109279
PNG
(CHEMBL3601684)
Show SMILES COc1ccc(cc1OC)C1=C(C(=O)N(C(=O)c2ccc(OCc3ccccc3)c(c2)[N+]([O-])=O)C1=O)c1ccc(OC)c(OC)c1 |t:11|
Show InChI InChI=1S/C34H28N2O10/c1-42-26-14-10-21(17-28(26)44-3)30-31(22-11-15-27(43-2)29(18-22)45-4)34(39)35(33(30)38)32(37)23-12-13-25(24(16-23)36(40)41)46-19-20-8-6-5-7-9-20/h5-18H,19H2,1-4H3
PDB

UniProtKB/SwissProt

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

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



Ocean University of China

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as paclitaxel IC50 for cell growth inhibition at 1 uM after 5 ...

Bioorg Med Chem 23: 5566-73 (2015)


BindingDB Entry DOI: 10.7270/Q2WS8W29
More data for this
Ligand-Target Pair