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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 = 'BDBM50153739'   
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))
BDBM50153739
PNG
(CHEMBL3775573)
Show SMILES [H][C@@]12[C@@H](OC(=O)CCCC(=O)OC)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1/C39H46O12/c1-24(40)47-27-22-23-37(4,45)39-33(49-29(42)19-13-18-28(41)46-6)31(36(2,3)51-39)32(48-30(43)21-20-25-14-9-7-10-15-25)34(38(27,39)5)50-35(44)26-16-11-8-12-17-26/h7-12,14-17,20-21,27,31-34,45H,13,18-19,22-23H2,1-6H3/b21-20+/t27-,31+,32-,33+,34-,37-,38-,39-/s2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
610n/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