BDBM22858 1,2-Dione-Based Compound, 15::2-nitro-9,10-dihydrophenanthrene-9,10-dione::CHEMBL433282::NSC23180::US9073941, 904

SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

InChI Key InChIKey=KNAXWOBOCVVMST-UHFFFAOYSA-N

Data  4 KI  3 IC50  1 Kd

  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 8 hits for monomerid = 22858   

TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22858(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Affinity DataKi:  15.9nMAssay Description:CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22858(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Affinity DataKi:  107nM ΔG°:  -9.50kcal/molepH: 7.4 T: 2°CAssay Description:CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22858(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Affinity DataKi:  850nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22858(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Affinity DataKi:  1.67E+3nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine 5'-phosphosulfate reductase(Mycobacterium tuberculosis)
The Scripps Research Institute

LigandPNGBDBM22858(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Affinity DataKd:  6.81E+3nMpH: 7.5 T: 2°CAssay Description:Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrolipoyl dehydrogenase(Mycobacterium tuberculosis)
Academia Sinica

US Patent
LigandPNGBDBM22858(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Affinity DataIC50:  640nMpH: 7.0Assay Description:The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...More data for this Ligand-Target Pair
In DepthDetails US Patent
LigandPNGBDBM22858(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Affinity DataIC50:  691nMpH: 7.0Assay Description:Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetReceptor-type tyrosine-protein phosphatase C(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM22858(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Affinity DataIC50:  2.40E+3nMAssay Description:In vitro inhibitory activity against the cytosolic portion of CD45 protein-tyrosine phosphatase using pNPP as the substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed