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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50013920   

TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataKi:  2.80E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataKi:  4.30E+3nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataKi:  5.90E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataIC50:  3.10nMAssay Description:Displacement of [3H]LTD4 from LTD4 receptor in guinea pig lung membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataIC50:  3.20nMAssay Description:Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataIC50:  2.90E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataIC50:  8nMAssay Description:Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataIC50:  3.90nMAssay Description:Inhibition of [3H]-LTD4 binding on guinea-pig lung membranesMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataIC50:  4.40E+3nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
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+3nMAssay Description:Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50013920(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Affinity DataIC50:  6.40E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed