BDBM50329618 CHEMBL1270738::ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(2,3'-bipyridin-6'-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-ylcarbamate

SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccn2)C1

InChI Key InChIKey=IHWKYASJAJITBL-UHFFFAOYSA-N

Data  1 KI  5 IC50

  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 6 hits for monomerid = 50329618   

TargetProteinase-activated receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50329618(ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(2,3'-bip...)
Affinity DataIC50: 180nMAssay Description:Inhibition of PAR1-mediated aggregation of TRAP-stimulated human plateletMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50329618(ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(2,3'-bip...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50329618(ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(2,3'-bip...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50329618(ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(2,3'-bip...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50329618(ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(2,3'-bip...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetProteinase-activated receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50329618(ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(2,3'-bip...)
Affinity DataKi:  19nMAssay Description:Displacement of high affinity TRAP form human platelet PAR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed