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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)C1c2ccccc2-c2ccccc12

InChI Key: InChIKey=OWUNWYFBVXAWFX-PSDDJHKBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50489309   
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))		BDBM50489309
PNG
(CHEMBL2316435)
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)C1c2ccccc2-c2ccccc12 |r,wU:26.27,29.34,1.0,wD:4.7,(16.52,-12.09,;16.53,-13.63,;16.53,-15.17,;15.2,-15.94,;13.87,-15.17,;13.87,-13.63,;15.2,-12.85,;12.54,-15.95,;11.21,-15.18,;11.2,-13.64,;9.87,-15.95,;8.54,-15.18,;7.2,-15.95,;5.87,-15.18,;4.54,-15.95,;3.2,-15.18,;3.2,-13.64,;4.54,-17.5,;3.2,-18.27,;1.86,-17.5,;5.88,-18.26,;5.89,-19.8,;4.56,-20.58,;7.21,-17.49,;17.87,-12.86,;17.88,-11.32,;19.2,-13.64,;19.19,-15.19,;20.51,-15.97,;21.86,-15.2,;21.86,-13.66,;20.53,-12.88,;23.19,-15.98,;24.53,-15.22,;24.54,-13.68,;25.81,-16.08,;27.25,-15.54,;27.81,-14.12,;29.33,-13.9,;30.28,-15.1,;29.71,-16.53,;28.2,-16.75,;27.35,-18.03,;27.73,-19.51,;26.64,-20.59,;25.15,-20.18,;24.77,-18.69,;25.87,-17.61,)|
Show InChI InChI=1S/C39H45NO7/c1-40(26-14-18-28(19-15-26)46-36(41)22-13-25-23-34(43-2)38(45-4)35(24-25)44-3)27-16-20-29(21-17-27)47-39(42)37-32-11-7-5-9-30(32)31-10-6-8-12-33(31)37/h5-13,22-24,26-29,37H,14-21H2,1-4H3/b22-13+/t26-,27-,28+,29+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/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