BDBM50001285 (E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoic acid::3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)((3-dimethylamino-3-oxopropyl)thio)methyl)thio)propanoic acid::3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoic acid::3-[{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-diethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid::3-[{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(MK-571)::3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid(MK-571, L-660711)::CHEMBL15177::L-660711::MK 571::MK-571

SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI Key InChIKey=AXUZQJFHDNNPFG-UHFFFAOYSA-N

Data  10 KI  18 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50001285   

TargetATP-binding cassette sub-family C member 2(Human)
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM50001285(3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...)
Affinity DataIC50: 4.00E+3nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake (PAH: 0.1uM) in membrane vesicles from MRP2-expressing HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM50001285(3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...)
Affinity DataKi:  600nMAssay Description:TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM50001285(3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...)
Affinity DataKi:  600nMAssay Description:TP_TRANSPORTER: inhibition of GSSG uptake in membrane vesicle from MRP1-expressing HeLa cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed