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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-VKEMJIJFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50489304   
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))		BDBM50489304
PNG
(CHEMBL2316438)
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:26.27,4.7,1.0,wD:29.34,(48.93,-.98,;48.95,-2.52,;47.62,-1.74,;46.29,-2.52,;46.29,-4.06,;47.62,-4.82,;48.95,-4.06,;44.96,-4.83,;43.62,-4.06,;43.62,-2.52,;42.29,-4.83,;40.95,-5.6,;39.62,-6.37,;38.3,-5.6,;36.96,-6.37,;35.63,-5.6,;35.63,-4.06,;36.96,-7.91,;35.63,-8.68,;34.3,-7.91,;38.31,-8.68,;38.31,-10.22,;36.98,-10.99,;39.63,-7.91,;50.28,-1.75,;50.29,-.2,;51.62,-2.52,;52.94,-1.76,;54.27,-2.55,;54.27,-4.09,;52.92,-4.85,;51.6,-4.07,;55.59,-4.87,;56.93,-4.11,;56.94,-2.57,;58.26,-4.89,;59.6,-4.12,;60.92,-4.91,;62.26,-4.15,;62.27,-2.61,;63.61,-1.84,;64.94,-2.62,;60.93,-1.83,;59.6,-2.59,;58.25,-6.43,;56.91,-7.18,;56.9,-8.72,;58.23,-9.5,;58.22,-11.04,;56.88,-11.8,;59.57,-8.73,;59.58,-7.2,)|
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 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