BDBM109524 US8604061, 292

SMILES CC[C@@H](C[C@H]1COC(=N1)N)c2ccccc2

InChI Key InChIKey=IXDKFUBXESWHSL-UHFFFAOYSA-N

Data  1 KI  3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 109524   

TargetCytochrome P450 3A4(Human)
Roche Innovation Center Basel

Curated by ChEMBL
LigandPNGBDBM109524(US8604061, 292)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Roche Innovation Center Basel

Curated by ChEMBL
LigandPNGBDBM109524(US8604061, 292)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Roche Innovation Center Basel

Curated by ChEMBL
LigandPNGBDBM109524(US8604061, 292)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMed
TargetTrace amine-associated receptor 1(Human)
Roche Innovation Center Basel

Curated by ChEMBL
LigandPNGBDBM109524(US8604061, 292)
Affinity DataEC50:  18nMAssay Description:Agonist activity at human TAAR1 expressed in recombinant HEK293 cells assessed as cAMP accumulation after 30 mins by luminometerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTrace amine-associated receptor 1(Mouse)
Hoffmann-La Roche

US Patent
LigandPNGBDBM109524(US8604061, 292)
Affinity DataKi:  3.5nMAssay Description:Radioligand binding assay using TAAR1.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2014
Entry Details
Go to US Patent