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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-glycoprotein 1' and Ligand = 'BDBM50153885'   
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
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50153885
PNG
(CHEMBL3775652)
Show SMILES [H][C@@]12[C@@H](OC(C)=O)[C@]3(OC1(C)C)[C@](C)(CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1)OC(=O)CNCC(C)C |r|
Show InChI InChI=1/C41H51NO11/c1-25(2)23-42-24-32(46)52-39(7)22-21-30(48-26(3)43)40(8)36(51-37(47)29-17-13-10-14-18-29)34(50-31(45)20-19-28-15-11-9-12-16-28)33-35(49-27(4)44)41(39,40)53-38(33,5)6/h9-20,25,30,33-36,42H,21-24H2,1-8H3/b20-19+/t30-,33+,34-,35+,36-,39-,40-,41-/s2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
630n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry


J Med Chem 59: 1880-90 (2016)


BindingDB Entry DOI: 10.7270/Q2CN75R5
More data for this
Ligand-Target Pair