BDBM50296171 1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-2-yl)-phenoxy]-propyl}-pyrrolidine::CHEMBL560386

SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1

InChI Key InChIKey=CHCVZZOPCAVWNV-UHFFFAOYSA-N

Data  5 KI  12 IC50

  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 17 hits for monomerid = 50296171   

TargetHistamine H2 receptor(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human histamine H2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bioprojet-Biotech

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 7.00E+3nMAssay Description:Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bioprojet-Biotech

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 4.90E+3nMAssay Description:Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bioprojet-Biotech

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bioprojet-Biotech

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 0.430nMAssay Description:Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding by ce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 0.390nMAssay Description:Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding by ce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetHistamine H4 receptor(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human histamine H4 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human histamine H1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]R-alpha-methylhistamine from human histamine H3 receptor by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetHistamine H3 receptor(Rat)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataKi:  2.80nMAssay Description:Displacement of [3H]R-alpha-methylhistamine from rat histamine H3 receptor by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetHistamine H3 receptor(Mouse)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50296171(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Affinity DataKi:  5.90nMAssay Description:Displacement of [3H]R-alpha-methylhistamine from mouse histamine H3 receptor by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed