BDBM22853 1,2-Dione-Based Compound, 10::1,2-dihydroacenaphthylenedione

SMILES O=c1c2cccc3cccc(c23)c1=O

InChI Key InChIKey=AFPRJLBZLPBTPZ-UHFFFAOYSA-N

Data  7 KI  1 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 9 hits for monomerid = 22853   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM22853(1,2-dihydroacenaphthylenedione | 1,2-Dione-Based C...)
Affinity DataKd:  3.25E+5nMAssay Description:Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM22853(1,2-dihydroacenaphthylenedione | 1,2-Dione-Based C...)
Affinity DataIC50: 1.43E+6nMAssay Description:Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
St. Jude Research Hospital

LigandPNGBDBM22853(1,2-dihydroacenaphthylenedione | 1,2-Dione-Based C...)
Affinity DataKi:  31nM ΔG°:  -10.2kcal/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 Depth
Date in BDB:
6/28/2008
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
St. Jude Research Hospital

LigandPNGBDBM22853(1,2-dihydroacenaphthylenedione | 1,2-Dione-Based C...)
Affinity DataKi:  31nMAssay Description:Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCoagulation factor XII(Human)
St. Jude Research Hospital

LigandPNGBDBM22853(1,2-dihydroacenaphthylenedione | 1,2-Dione-Based C...)
Affinity DataKi:  170nM ΔG°:  -9.23kcal/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 Depth
Date in BDB:
6/28/2008
Entry Details Article
PubMed
TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22853(1,2-dihydroacenaphthylenedione | 1,2-Dione-Based C...)
Affinity DataKi:  170nMAssay Description:Inhibition of human iCE using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCholinesterase(Human)
St. Jude Research Hospital

LigandPNGBDBM22853(1,2-dihydroacenaphthylenedione | 1,2-Dione-Based C...)
Affinity DataKi:  2.97E+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 Depth
Date in BDB:
6/28/2008
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM22853(1,2-dihydroacenaphthylenedione | 1,2-Dione-Based C...)
Affinity DataKi:  5.70E+4nMAssay Description:Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
St. Jude Research Hospital

LigandPNGBDBM22853(1,2-dihydroacenaphthylenedione | 1,2-Dione-Based C...)
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 Depth
Date in BDB:
6/28/2008
Entry Details Article
PubMed