BDBM22850 1,2-Dione-Based Compound, 7::1,2-dicyclohexylethane-1,2-dione

SMILES O=C(C1CCCCC1)C(=O)C1CCCCC1

InChI Key InChIKey=ZWDFMOMBVDVEHE-UHFFFAOYSA-N

Data  9 KI

  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 = 22850   

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

Curated by ChEMBL
LigandPNGBDBM22850(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
Affinity DataKi:  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
TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22850(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
Affinity DataKi:  5nM ΔG°:  -11.3kcal/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(Oryctolagus cuniculus (rabbit))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22850(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
Affinity DataKi:  27nMAssay 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
TargetCocaine esterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22850(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
Affinity DataKi:  72nMAssay 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(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22850(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
Affinity DataKi:  72nM ΔG°:  -9.74kcal/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 Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22850(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
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
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22850(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
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 Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22850(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
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
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22850(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
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