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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 = 'BDBM50353597'   
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))
BDBM50353597
PNG
(CHEMBL1829396)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)OC(=O)c1ccoc1
Show InChI InChI=1S/C38H40O13/c1-22(39)46-21-37-29(49-34(43)26-16-17-45-20-26)18-27-30(50-33(42)25-14-10-7-11-15-25)38(37,51-35(27,3)4)36(5,44)19-28(31(37)47-23(2)40)48-32(41)24-12-8-6-9-13-24/h6-17,20,27-31,44H,18-19,21H2,1-5H3/t27-,28+,29+,30-,31+,36+,37-,38+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
340n/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 daunomycin efflux after 30 mins by flow cytometry


Eur J Med Chem 46: 4915-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.048
BindingDB Entry DOI: 10.7270/Q2N29XB8
More data for this
Ligand-Target Pair