BDBM33091 MLS000530401::N-(2-(4-nitrophenyl)-1-{[2-(2,3,4-trihydroxybenzylidene)hydrazino]carbonyl}vinyl)benzamide::N-[(Z)-1-[[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamoyl]-2-(4-nitrophenyl)vinyl]benzamide::N-[(Z)-3-[2-[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide::N-[(Z)-3-[2-[(E)-[2,3-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]hydrazinyl]-1-(4-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide::N-[(Z)-3-[[(E)-(2,3-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide::SMR000135378::cid_5335755

SMILES O=C(N[NH+]=C[c-]1ccc(=O)c(O)c1O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1

InChI Key InChIKey=QDMJJBLETHWCPO-UHFFFAOYSA-O

Data  4 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 33091   

TargetBcl-2-like protein 2(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33091BDBM33091(MLS000530401 | N-[(Z)-3-[[(E)-(2,3-dihydroxy-4-oxo...)
Affinity DataEC50:  4.76E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetBcl-2-related protein A1(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33091BDBM33091(MLS000530401 | N-[(Z)-3-[[(E)-(2,3-dihydroxy-4-oxo...)
Affinity DataEC50:  5.22E+3nMpH: 7.4 T: 2°CAssay Description:The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 33091BDBM33091(MLS000530401 | N-[(Z)-3-[[(E)-(2,3-dihydroxy-4-oxo...)
Affinity DataIC50: 1.93E+4nMAssay 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
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33091BDBM33091(MLS000530401 | N-[(Z)-3-[[(E)-(2,3-dihydroxy-4-oxo...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33091BDBM33091(MLS000530401 | N-[(Z)-3-[[(E)-(2,3-dihydroxy-4-oxo...)
Affinity DataIC50: 5.00E+4nMAssay 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:
6/4/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33091BDBM33091(MLS000530401 | N-[(Z)-3-[[(E)-(2,3-dihydroxy-4-oxo...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay