BDBM50109069 (3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-[3-(3,5-difluoro-phenyl)-isoxazol-5-yl]-amine::CHEMBL107920

SMILES Fc1cc(F)cc(c1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1

InChI Key InChIKey=HCNUDUBKUTYRBU-UHFFFAOYSA-N

Data  1 KI  3 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 4 hits for monomerid = 50109069   

TargetProteinase-activated receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109069((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Affinity DataIC50: 90nMAssay 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
LigandPNGBDBM50109069((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Affinity DataIC50: 150nMAssay 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
LigandPNGBDBM50109069((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Affinity DataIC50: 510nMAssay 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
TargetProthrombin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109069((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for thrombin catalytic activity; no inhibition was observedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed