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SMILES: [H][C@]1(CC[C@@H](CC1)OC(=O)C#Cc1cc(OC)c(OC)c(OC)c1)N(C)[C@@H]1CC[C@@H](CC1)OC(=O)C(c1ccc(OC)cc1)c1ccc(OC)cc1

InChI Key: InChIKey=RBRDQAJOBKZMHD-ZEIODQBDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50489313   
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))		BDBM50489313
PNG
(CHEMBL2316439)
Show SMILES [H][C@]1(CC[C@@H](CC1)OC(=O)C#Cc1cc(OC)c(OC)c(OC)c1)N(C)[C@@H]1CC[C@@H](CC1)OC(=O)C(c1ccc(OC)cc1)c1ccc(OC)cc1 |r,wU:26.27,29.34,1.0,wD:4.7,(15.45,-15.59,;15.46,-17.13,;15.46,-18.67,;14.14,-19.43,;12.81,-18.67,;12.81,-17.13,;14.14,-16.35,;11.47,-19.44,;10.14,-18.68,;10.14,-17.14,;8.81,-19.45,;7.47,-20.22,;6.14,-20.99,;4.81,-20.21,;3.48,-20.98,;2.15,-20.21,;2.15,-18.67,;3.48,-22.52,;2.15,-23.3,;.81,-22.53,;4.82,-23.29,;4.83,-24.83,;3.5,-25.61,;6.15,-22.52,;16.8,-16.37,;16.81,-14.83,;18.13,-17.14,;18.12,-18.69,;19.44,-19.46,;20.78,-18.7,;20.79,-17.16,;19.46,-16.38,;22.11,-19.48,;23.45,-18.72,;23.46,-17.18,;24.78,-19.5,;26.12,-18.74,;27.44,-19.52,;28.78,-18.76,;28.79,-17.22,;30.12,-16.46,;31.45,-17.24,;27.45,-16.44,;26.12,-17.21,;24.77,-21.04,;23.43,-21.8,;23.42,-23.34,;24.75,-24.12,;24.74,-25.66,;23.4,-26.42,;26.09,-23.35,;26.1,-21.81,)|
Show InChI InChI=1S/C41H49NO9/c1-42(30-12-20-34(21-13-30)50-38(43)24-7-27-25-36(47-4)40(49-6)37(26-27)48-5)31-14-22-35(23-15-31)51-41(44)39(28-8-16-32(45-2)17-9-28)29-10-18-33(46-3)19-11-29/h8-11,16-19,25-26,30-31,34-35,39H,12-15,20-23H2,1-6H3/t30-,31-,34+,35+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human doxorubicin-resistant K562 cells assessed as half maximal increase of pirarubicin accumulation by spectrofluoro...

Bioorg Med Chem 21: 456-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.019
BindingDB Entry DOI: 10.7270/Q2ST7SQM
More data for this
Ligand-Target Pair