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-UXBLZVDNSA-N

Data  10 KI  17 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50001285   

TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataKi:  0.200nMAssay Description:Compound was evaluated for its ability to displace [3H]-LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University Of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataKi:  10.4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataKi:  600nMAssay Description:Inhibition of MRP1-mediated transport of [3H]LTC4 expressed in human HeLa T5 cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)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 DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)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 DepthDetails PubMed
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
University Of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Kagoshima University

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataKi:  1.31E+4nMAssay Description:TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from MRP2-expressing LLC PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Kagoshima University

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataKi:  2.64E+4nMAssay Description:TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataKi:  1.35E+5nMAssay Description:Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataKi:  1.40E+5nMAssay Description:Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  3.53E+3nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  9.30E+3nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Kagoshima University

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataEC50:  1.90E+4nMAssay Description:Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Rattus norvegicus)
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  2.62E+3nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.055 uM) in membrane vesicles from Mrp2-expressing Sf9 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Kagoshima University

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)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 DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  400nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin uptake (Daunorubicin: 0.6 uM) in membrane vesicles from GLC4/ADR cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  1.19E+4nMAssay Description:Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  5.22E+3nMAssay Description:Inhibition of human ABCC1 transfected in HEK293 cells assessed as potentiation of etoposide-induced cytotoxicity by measuring etoposide IC50 at 25000...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  3.90nMAssay Description:Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 1More data for this Ligand-Target Pair
In DepthDetails Article
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  3.90nMAssay Description:Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2More data for this Ligand-Target Pair
In DepthDetails Article
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of human ABCG2 expressed in human SAOS-2 cells mediated mitoxantrone efflux using mitoxantrone as substrate by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-binding cassette sub-family C member 5(Homo sapiens (Human))
The Netherlands Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  4.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (PMEA: 1 uM) in MRP5-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataEC50:  1.24E+4nMAssay Description:Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataEC50:  2.85E+3nMAssay Description:Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of recombinant MRP1 expressed in human HeLa T5 cells assessed as ATP-dependent transport of [3H]para-aminohippurateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  0.800nMAssay Description:In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Affinity DataIC50:  1.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (PMEA: 1 uM) in MRP4-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed