BDBM44494 2-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-4-bromo-7-(ethylamino)-1-cyclohepta-2,4,6-trienone::2-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-4-bromo-7-(ethylamino)cyclohepta-2,4,6-trien-1-one::2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-bromanyl-7-(ethylamino)cyclohepta-2,4,6-trien-1-one::2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-bromo-7-(ethylamino)cyclohepta-2,4,6-trien-1-one::2-[3-(1,3-benzodioxol-5-yl)acryloyl]-4-bromo-7-(ethylamino)-2,4,6-cycloheptatrien-1-one::MLS000537596::SMR000161459::cid_7314651

SMILES CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc3OCOc3c2)c1=O

InChI Key InChIKey=WQJHCJRBEYRRKP-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 44494   

LigandPNGBDBM44494(SMR000161459 | MLS000537596 | 2-[(E)-3-(1,3-benzod...)
Affinity DataIC50: 2.58E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetEphrin type-A receptor 4(Mouse)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44494(SMR000161459 | MLS000537596 | 2-[(E)-3-(1,3-benzod...)
Affinity DataIC50: 5.22E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetProtein artemis(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44494(SMR000161459 | MLS000537596 | 2-[(E)-3-(1,3-benzod...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetEphrin type-A receptor 4(Mouse)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44494(SMR000161459 | MLS000537596 | 2-[(E)-3-(1,3-benzod...)
Affinity DataIC50: 5.00E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay