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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 = 'BDBM50153726'   
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))
BDBM50153726
PNG
(CHEMBL3774590)
Show SMILES CC(=O)O[C@H]1CC[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(=O)c2ccccc2)[C@H](OC(=O)\C=C\c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]13C
Show InChI InChI=1S/C40H42O10/c1-25(41)46-29-23-24-38(4,45)40-33(48-35(43)27-17-11-7-12-18-27)31(37(2,3)50-40)32(47-30(42)22-21-26-15-9-6-10-16-26)34(39(29,40)5)49-36(44)28-19-13-8-14-20-28/h6-22,29,31-34,45H,23-24H2,1-5H3/b22-21+/t29-,31+,32-,33+,34-,38-,39-,40-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
500n/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)


Article DOI: 10.1021/acs.jmedchem.5b01429
BindingDB Entry DOI: 10.7270/Q2CN75R5
More data for this
Ligand-Target Pair