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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 = 'BDBM50275948'   
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))
BDBM50275948
PNG
((4R,13S,19R,28R)-8,23-dimethoxy-14,14,29,29-tetram...)
Show SMILES COc1ccc2[C@H]3[C@@H](OCc2c1)C(C)(C)OC1=C3C(=O)C2=C([C@@H]3[C@@H](COc4cc(OC)ccc34)C(C)(C)O2)C1=O |r,c:18,t:23|
Show InChI InChI=1S/C32H32O8/c1-31(2)20-14-37-21-12-17(36-6)8-10-19(21)22(20)24-26(33)29-25(27(34)28(24)39-31)23-18-9-7-16(35-5)11-15(18)13-38-30(23)32(3,4)40-29/h7-12,20,22-23,30H,13-14H2,1-6H3/t20-,22+,23-,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
510n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry


J Med Chem 51: 7132-43 (2009)


Article DOI: 10.1021/jm800403b
BindingDB Entry DOI: 10.7270/Q2TB16R7
More data for this
Ligand-Target Pair