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SMILES: [H][C@@]1(CC[C@@H](CC1)OC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1)N(C)[C@H]1CC[C@@H](CC1)OC(=O)CCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=WOHMJNKGVJONJX-ZDXCCCBSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50489300   
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))		BDBM50489300
PNG
(CHEMBL2316430)
Show SMILES [H][C@@]1(CC[C@@H](CC1)OC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1)N(C)[C@H]1CC[C@@H](CC1)OC(=O)CCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1 |r,wU:26.27,4.7,1.0,wD:29.34,(47.98,-20.91,;48,-22.45,;46.67,-21.67,;45.34,-22.45,;45.34,-23.99,;46.67,-24.75,;48,-23.99,;44,-24.76,;42.67,-23.99,;42.67,-22.45,;41.34,-24.76,;40,-24,;38.67,-24.77,;37.34,-24,;36.01,-24.77,;34.67,-24,;34.67,-22.46,;36.01,-26.31,;34.68,-27.08,;33.34,-26.32,;37.35,-27.08,;37.36,-28.62,;36.03,-29.39,;38.68,-26.3,;49.33,-21.68,;49.34,-20.14,;50.66,-22.46,;51.99,-21.7,;53.32,-22.48,;53.31,-24.02,;51.97,-24.78,;50.65,-24.01,;54.64,-24.8,;55.98,-24.04,;55.99,-22.5,;57.31,-24.82,;58.65,-24.06,;59.98,-24.83,;59.2,-26.15,;58.44,-27.47,;60.74,-26.16,;62.28,-26.16,;60.33,-27.64,;61.31,-24.07,;61.32,-22.54,;62.65,-21.78,;63.99,-22.56,;65.33,-21.8,;65.34,-20.26,;63.98,-24.1,;65.31,-24.88,;66.65,-24.12,;62.64,-24.86,)|
Show InChI InChI=1S/C41H56N2O9/c1-27(2)41(26-42,29-10-19-34(46-4)35(25-29)47-5)22-21-39(45)52-33-17-13-31(14-18-33)43(3)30-11-15-32(16-12-30)51-38(44)20-9-28-23-36(48-6)40(50-8)37(24-28)49-7/h9-10,19-20,23-25,27,30-33H,11-18,21-22H2,1-8H3/b20-9+/t30-,31-,32-,33-,41?
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/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