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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50116013   
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
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50116013
PNG
(CHEMBL3612141)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C26H27N3O4S/c1-3-28(4-2)12-7-13-29-25(31)22(15-17-10-11-20-21(14-17)33-16-32-20)34-26(29)23-18-8-5-6-9-19(18)27-24(23)30/h5-6,8-11,14-15H,3-4,7,12-13,16H2,1-2H3,(H,27,30)/b22-15-,26-23+
PDB

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
480n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.002
BindingDB Entry DOI: 10.7270/Q2PN97FH
More data for this
Ligand-Target Pair