BDBM37063 MLS000047020::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide::N-2,3-dihydro-1,4-benzodioxin-6-yl-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide::SMR000033031::cid_3241256

SMILES Cn1nc(CC(=O)Nc2ccc3OCCOc3c2)c2ccccc2c1=O

InChI Key InChIKey=XYEVXHKHHRCOPM-UHFFFAOYSA-N

Data  6 IC50  3 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 7 hits for monomerid = 37063   

TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37063BDBM37063(MLS000047020 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataIC50: 3.37E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37063BDBM37063(MLS000047020 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataIC50: 5.34E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37063BDBM37063(MLS000047020 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataEC50:  5.94E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37063BDBM37063(MLS000047020 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataEC50:  5.95E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37063BDBM37063(MLS000047020 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataIC50: 6.30E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37063BDBM37063(MLS000047020 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataIC50: 1.28E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37063BDBM37063(MLS000047020 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataEC50: >3.00E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay