BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50489327'   
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))		BDBM50489327
PNG
(CHEMBL2316160)
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:24.25,4.7,1.0,wD:27.32,(49.58,-1.88,;49.59,-3.42,;48.26,-2.64,;46.93,-3.42,;46.93,-4.96,;48.26,-5.72,;49.59,-4.96,;45.6,-5.73,;44.26,-4.96,;44.26,-3.42,;42.93,-5.73,;41.6,-4.96,;40.27,-5.73,;38.94,-4.97,;38.93,-3.43,;40.27,-7.28,;38.94,-8.05,;37.61,-7.28,;41.62,-8.04,;41.62,-9.58,;40.29,-10.36,;42.94,-7.27,;50.93,-2.65,;50.93,-1.11,;52.26,-3.42,;53.58,-2.66,;54.92,-3.45,;54.91,-4.99,;53.57,-5.75,;52.24,-4.97,;56.24,-5.77,;57.57,-5.01,;57.58,-3.47,;58.9,-5.79,;60.24,-5.02,;61.57,-5.8,;62.9,-5.04,;64.23,-5.81,;65.56,-5.04,;66.89,-5.82,;64.22,-7.36,;65.55,-8.13,;65.54,-9.67,;62.88,-8.12,;62.87,-9.66,;61.53,-10.42,;61.55,-7.34,)|
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 320n/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