BDBM22860 1,2-Dione-Based Compound, 17::5,6-dihydro-1=10-phenantroline-5,6-dione::cid_72810

SMILES O=C1C(=O)c2cccnc2-c2ncccc12

InChI Key InChIKey=KCALAFIVPCAXJI-UHFFFAOYSA-N

Data  4 KI  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 22860   

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

LigandPNGBDBM22860(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Affinity DataKi:  5.40E+3nMAssay 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
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22860(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Affinity DataKi: >1.00E+5nMAssay 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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22860(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Affinity DataKi: >1.00E+5nMAssay 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
TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22860(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.45kcal/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
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22860(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Affinity DataIC50:  1.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T](Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22860(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Affinity DataIC50:  1.12E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22860(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Affinity DataIC50:  1.23E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetRNA-editing ligase 1, mitochondrial(Trypanosoma brucei brucei)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22860(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Affinity DataIC50:  3.51E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMitochondrial peptide methionine sulfoxide reductase(Bos taurus)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22860(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Affinity DataEC50:  3.64E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay