BDBM50109085 (3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-[3-(3-nitro-phenyl)-isoxazol-5-yl]-amine::CHEMBL111109

SMILES [O-][N+](=O)c1cccc(c1)-c1cc([o+][n-]1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1

InChI Key InChIKey=SUTYVKBDMFTKBS-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50109085   

TargetProteinase-activated receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109085((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Affinity DataIC50: 830nMAssay Description:Antagonistic activity against thrombin receptor, inhibition of secreted radiolabeled [3H]5-HT from washed human platelets stimulated by 3 uM thrombin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProteinase-activated receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109085((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Affinity DataIC50: 1.02E+3nMAssay Description:Displacement of [3H]SFFLRR-NH2 from human thrombin receptor PAR-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProteinase-activated receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109085((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of secretion of radiolabeled serotonin from washed human platelets stimulated by 1 nM thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed