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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 = 'BDBM50153731'   
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))
BDBM50153731
PNG
(CHEMBL3775149)
Show SMILES [H][C@@]12O[C@@]3(C)CC[C@H](OC(C)=O)[C@@]4(C)[C@@H](OC(=O)c5ccccc5)[C@@H](OC(=O)\C=C\c5ccccc5)[C@@]1([H])C(C)(C)O[C@@]234 |r|
Show InChI InChI=1/C33H36O8/c1-20(34)37-23-18-19-31(4)33-27(40-31)25(30(2,3)41-33)26(38-24(35)17-16-21-12-8-6-9-13-21)28(32(23,33)5)39-29(36)22-14-10-7-11-15-22/h6-17,23,25-28H,18-19H2,1-5H3/b17-16+/t23-,25+,26-,27+,28-,31-,32-,33-/s2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

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)


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