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SMILES: [H][C@]1(CC[C@@H](CC1)OC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)[C@@H]1CC[C@@H](CC1)OC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=GYWUGKYGQVCSEZ-HTNMWRMPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50489325   
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))		BDBM50489325
PNG
(CHEMBL2316161)
Show SMILES [H][C@]1(CC[C@@H](CC1)OC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)[C@@H]1CC[C@@H](CC1)OC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 |r,wU:24.25,27.32,1.0,wD:4.7,(16.82,-12.52,;16.84,-14.06,;16.84,-15.6,;15.51,-16.37,;14.18,-15.6,;14.18,-14.06,;15.51,-13.29,;12.85,-16.38,;11.51,-15.61,;11.51,-14.07,;10.18,-16.38,;8.85,-15.61,;7.52,-16.38,;6.18,-15.61,;6.18,-14.07,;7.52,-17.92,;6.19,-18.7,;4.86,-17.93,;8.86,-18.69,;8.87,-20.23,;7.54,-21.01,;10.19,-17.92,;18.17,-13.3,;18.18,-11.76,;19.51,-14.07,;19.49,-15.62,;20.81,-16.4,;22.16,-15.64,;22.16,-14.09,;20.83,-13.31,;23.48,-16.42,;24.82,-15.65,;24.83,-14.11,;26.15,-16.43,;27.49,-15.67,;28.82,-16.45,;30.15,-15.68,;31.48,-16.46,;32.81,-15.69,;34.14,-16.46,;31.47,-18,;32.8,-18.78,;32.79,-20.32,;30.13,-18.76,;30.12,-20.3,;28.78,-21.07,;28.8,-17.99,)|
Show InChI InChI=1S/C35H47NO10/c1-36(25-11-15-27(16-12-25)46-35(38)23-20-30(41-4)34(44-7)31(21-23)42-5)24-9-13-26(14-10-24)45-32(37)17-8-22-18-28(39-2)33(43-6)29(19-22)40-3/h8,17-21,24-27H,9-16H2,1-7H3/b17-8+/t24-,25-,26+,27+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/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