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BDBM50139438 CHEMBL3765272

SMILES: COc1cc(OC)c2c(c1)oc(NCCCN1CCOCC1)cc2=O

InChI Key: InChIKey=AJTKVPBMWKXEQW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50139438   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50139438
PNG
(CHEMBL3765272)
Show SMILES COc1cc(OC)c2c(c1)oc(NCCCN1CCOCC1)cc2=O
Show InChI InChI=1S/C18H24N2O5/c1-22-13-10-15(23-2)18-14(21)12-17(25-16(18)11-13)19-4-3-5-20-6-8-24-9-7-20/h10-12,19H,3-9H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.33E+4n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 transfected in MDCK2 cells assessed as inhibition of calcein-AM efflux


Eur J Med Chem 109: 124-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.010
BindingDB Entry DOI: 10.7270/Q2DV1MQ6
More data for this
Ligand-Target Pair