BDBM96641 MLS000585149::N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-1-(3,4-dimethoxyphenyl)methanimine::N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(3,4-dimethoxyphenyl)methanimine::N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-[(1E)-(3,4-dimethoxyphenyl)methylene]amine::SMR000203912::cid_4458727::isochroman-1-ylmethyl(veratrylidene)amine

SMILES COc1ccc(\C=N\CC2OCCc3ccccc23)cc1OC

InChI Key InChIKey=NQFDLBLJCDHSGR-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  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 4 hits for monomerid = 96641   

TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96641(SMR000203912 | MLS000585149 | N-(3,4-dihydro-1H-2-...)
Affinity DataEC50:  90.0nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96641(SMR000203912 | MLS000585149 | N-(3,4-dihydro-1H-2-...)
Affinity DataIC50: 512nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96641(SMR000203912 | MLS000585149 | N-(3,4-dihydro-1H-2-...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96641(SMR000203912 | MLS000585149 | N-(3,4-dihydro-1H-2-...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay