BDBM50013920 3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid::3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid::CHEMBL280481::MK-679::VERLUKAST

SMILES CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI Key InChIKey=AXUZQJFHDNNPFG-LHAVAQOQSA-N

Data  3 KI  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013920   

TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of human MRP2-mediated estradiol-17beta-glucuronide transport in Sf9 cells inverted membrane vesiclesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed