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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
54
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 0.200nM
Assay Description:
Compound was evaluated for its ability to displace [3H]-LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes
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Target
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human))
University Of California Irvine
Curated by
PDSP K
i
Database
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 10.4nM
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 600nM
Assay Description:
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells
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Target
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
i
Database
Ligand
BDBM86671
(CAS_60719 | MK 571 | NSC_60719)
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Affinity Data
Ki: 600nM
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 600nM
Assay Description:
TP_TRANSPORTER: inhibition of GSSG uptake in membrane vesicle from MRP1-expressing HeLa cells
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 600nM
Assay Description:
Inhibition of MRP1-mediated transport of [3H]LTC4 expressed in human HeLa T5 cells by liquid scintillation counting
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Target
Cysteinyl leukotriene receptor 2
(Homo sapiens (Human))
University Of California Irvine
Curated by
PDSP K
i
Database
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 1.00E+3nM
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Target
Solute carrier organic anion transporter family member 2B1
(Homo sapiens (Human))
Uppsala University
Curated by
ChEMBL
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
Ki: 2.80E+3nM
Assay Description:
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...
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Target
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human))
Uppsala University
Curated by
ChEMBL
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
Ki: 4.30E+3nM
Assay Description:
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting
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Target
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
i
Database
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
Ki: 5.90E+3nM
Assay Description:
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...
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Target
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
i
Database
Ligand
BDBM86671
(CAS_60719 | MK 571 | NSC_60719)
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Affinity Data
Ki: 8.50E+3nM
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Target
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
i
Database
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 1.31E+4nM
Assay Description:
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from MRP2-expressing LLC PK1 cells
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Target
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
i
Database
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 2.64E+4nM
Assay Description:
TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 1.35E+5nM
Assay Description:
Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
Ki: 1.40E+5nM
Assay Description:
Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysis
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50013919
(3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(...)
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Affinity Data
IC50: 0.770nM
Assay Description:
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Copy SMILES
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Affinity Data
IC50: 0.800nM
Assay Description:
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50052019
(CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...)
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Affinity Data
IC50: 1.5nM
Assay Description:
Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50052019
(CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...)
Copy SMILES
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Affinity Data
IC50: 2.5nM
Assay Description:
Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes
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Target
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human))
University Of California Irvine
Curated by
PDSP K
i
Database
Ligand
BDBM50013919
(3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(...)
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Affinity Data
IC50: 3.10nM
Assay Description:
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50052029
(CHEMBL89340 | L-668019 | MK-679 | Sodium; 3-[(R)-{...)
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Affinity Data
IC50: 3.10nM
Assay Description:
Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes
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Target
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human))
University Of California Irvine
Curated by
PDSP K
i
Database
Ligand
BDBM50052029
(CHEMBL89340 | L-668019 | MK-679 | Sodium; 3-[(R)-{...)
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Affinity Data
IC50: 3.10nM
Assay Description:
Compound were tested for inhibitory activity against Cysteinyl leukotriene D4 receptor
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
IC50: 3.10nM
Assay Description:
Displacement of [3H]LTD4 from LTD4 receptor in guinea pig lung membrane
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
IC50: 3.20nM
Assay Description:
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
IC50: 3.90nM
Assay Description:
Inhibition of [3H]-LTD4 binding on guinea-pig lung membranes
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
IC50: 3.90nM
Assay Description:
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 1
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Target
Cysteinyl leukotriene receptor 1
(GUINEA PIG)
Ici Pharmaceuticals Group
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Copy SMILES
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Affinity Data
IC50: 3.90nM
Assay Description:
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2
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Target
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human))
University Of California Irvine
Curated by
PDSP K
i
Database
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
IC50: 8nM
Assay Description:
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
IC50: 400nM
Assay Description:
TP_TRANSPORTER: inhibition of Daunorubicin uptake (Daunorubicin: 0.6 uM) in membrane vesicles from GLC4/ADR cells
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Target
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
i
Database
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
IC50: >1.00E+3nM
Assay Description:
Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay
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Target
ATP-binding cassette sub-family C member 2
(Rattus norvegicus)
The University Of Tokyo
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
IC50: 2.62E+3nM
Assay Description:
TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.055 uM) in membrane vesicles from Mrp2-expressing Sf9 cells
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
IC50: 2.80E+3nM
Assay Description:
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay
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Target
Solute carrier organic anion transporter family member 2B1
(Homo sapiens (Human))
Uppsala University
Curated by
ChEMBL
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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Affinity Data
IC50: 2.90E+3nM
Assay Description:
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
IC50: 3.30E+3nM
Assay Description:
Inhibition of recombinant MRP1 expressed in human HeLa T5 cells assessed as ATP-dependent transport of [3H]para-aminohippurate
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Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
IC50: 3.50E+3nM
Assay Description:
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...
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Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
IC50: 3.53E+3nM
Assay 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 ...
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ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
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Database
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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Affinity Data
IC50: 4.00E+3nM
Assay Description:
TP_TRANSPORTER: inhibition of PAH uptake (PAH: 0.1uM) in membrane vesicles from MRP2-expressing HEK cells
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Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human))
Uppsala University
Curated by
ChEMBL
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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IC50: 4.40E+3nM
Assay Description:
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting
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Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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IC50: 5.22E+3nM
Assay Description:
Inhibition of human ABCC1 transfected in HEK293 cells assessed as potentiation of etoposide-induced cytotoxicity by measuring etoposide IC50 at 25000...
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ATP-binding cassette sub-family C member 4
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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IC50: 6.00E+3nM
Assay 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...
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Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
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Database
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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IC50: 6.40E+3nM
Assay Description:
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...
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Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50052019
(CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...)
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IC50: 7.57E+3nM
Assay Description:
Inhibition of human MRP1 in human 2008 cells
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ATP-binding cassette sub-family C member 3
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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IC50: 9.30E+3nM
Assay Description:
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...
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ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
i
Database
Ligand
BDBM50013920
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
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IC50: 1.00E+4nM
Assay Description:
Inhibition of human MRP2-mediated estradiol-17beta-glucuronide transport in Sf9 cells inverted membrane vesicles
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ATP-binding cassette sub-family C member 4
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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IC50: 1.00E+4nM
Assay Description:
TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (PMEA: 1 uM) in MRP4-expressing HEK293 cells
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Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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IC50: 1.19E+4nM
Assay Description:
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid...
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ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
i
Database
Ligand
BDBM50052019
(CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...)
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IC50: 2.07E+4nM
Assay Description:
Inhibition of human MRP2 expressed in dog MDCK2 cells
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50052019
(CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...)
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IC50: >3.00E+4nM
Assay Description:
Inhibition of human MRP1 transfected in MDCK2 cells assessed as inhibition of calcein-AM efflux
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ATP-binding cassette sub-family C member 5
(Homo sapiens (Human))
The Netherlands Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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IC50: 4.00E+4nM
Assay Description:
TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (PMEA: 1 uM) in MRP5-expressing HEK293 cells
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Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human))
Federal University Of Parana
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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IC50: 5.00E+4nM
Assay Description:
Inhibition of human ABCG2 expressed in human SAOS-2 cells mediated mitoxantrone efflux using mitoxantrone as substrate by flow cytometry
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ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
German Cancer Research Center
Curated by
PDSP K
i
Database
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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IC50: >1.33E+5nM
Assay 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...
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Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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EC50: 2.85E+3nM
Assay Description:
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay
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Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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EC50: 1.24E+4nM
Assay 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...
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Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by
ChEMBL
Ligand
BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
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EC50: 1.90E+4nM
Assay Description:
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...
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