BDBM50372 3-[(N''E)-N''-(4-allyloxy-2,3-dibromo-5-methoxy-benzylidene)hydrazino]benzoic acid::3-[(N'E)-N'-(4-allyloxy-2,3-dibromo-5-methoxy-benzylidene)hydrazino]benzoic acid::3-[2-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]benzoic acid::3-[2-[[2,3-bis(bromanyl)-5-methoxy-4-prop-2-enoxy-phenyl]methylidene]hydrazinyl]benzoic acid::3-[N'-(4-allyloxy-2,3-dibromo-5-methoxy-benzylidene)hydrazino]benzoic acid::3-{2-[4-(allyloxy)-2,3-dibromo-5-methoxybenzylidene]hydrazino}benzoic acid::MLS000700860::SMR000231284::cid_3333662

SMILES COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C

InChI Key InChIKey=XTWPFNIQCVPHAV-UHFFFAOYSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50372   

LigandPNGBDBM50372(cid_3333662 | SMR000231284 | 3-[2-[[2,3-bis(broman...)
Affinity DataIC50: 5.84E+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
TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50372(cid_3333662 | SMR000231284 | 3-[2-[[2,3-bis(broman...)
Affinity DataIC50: 2.92E+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:
7/9/2011
Entry Details
PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50372(cid_3333662 | SMR000231284 | 3-[2-[[2,3-bis(broman...)
Affinity DataIC50: 1.00E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetHuntingtin(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50372(cid_3333662 | SMR000231284 | 3-[2-[[2,3-bis(broman...)
Affinity DataIC50: 2.28E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay