BDBM22725 Butan-2,3-dione::butane-2,3-dione

SMILES CC(=O)C(C)=O

InChI Key InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N

Data  10 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 22725   

TargetCoagulation factor XII(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
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
TargetLiver carboxylesterase 1(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
Affinity DataKi: >1.00E+5nMAssay 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
TargetLiver carboxylesterase 1(Oryctolagus cuniculus (rabbit))
University of Mississippi

LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
Affinity DataKi: >1.00E+5nMAssay 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))
University of Mississippi

LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
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))
University of Mississippi

LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCocaine esterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Oryctolagus cuniculus (rabbit))
University of Mississippi

LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22725(Butan-2,3-dione | butane-2,3-dione)
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