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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50489324'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50489324
PNG
(CHEMBL2316433)
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:26.27,1.0,wD:4.7,29.34,(16.18,-3,;16.2,-4.54,;16.2,-6.08,;14.87,-6.84,;13.54,-6.08,;13.54,-4.54,;14.87,-3.76,;12.2,-6.85,;10.87,-6.08,;10.87,-4.54,;9.54,-6.86,;8.2,-6.09,;6.87,-6.86,;5.53,-6.09,;4.2,-6.86,;2.86,-6.09,;2.86,-4.55,;4.2,-8.4,;2.87,-9.18,;1.53,-8.41,;5.55,-9.17,;5.55,-10.71,;4.22,-11.49,;6.87,-8.4,;17.54,-3.77,;17.54,-2.23,;18.87,-4.55,;20.19,-3.79,;21.53,-4.57,;21.52,-6.11,;20.18,-6.87,;18.85,-6.1,;22.85,-6.89,;24.19,-6.13,;24.2,-4.59,;25.47,-6.98,;26.91,-6.45,;27.48,-5.03,;28.99,-4.81,;29.94,-6.01,;29.37,-7.44,;27.86,-7.65,;27.01,-8.94,;27.4,-10.42,;26.3,-11.5,;24.81,-11.08,;24.43,-9.59,;25.53,-8.52,)|
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 80n/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