BDBM22728 2-hydroxy-1,2-diphenylethan-1-one::Benzoin::CHEMBL190677

SMILES OC(C(=O)c1ccccc1)c1ccccc1

InChI Key InChIKey=ISAOCJYIOMOJEB-UHFFFAOYSA-N

Data  13 KI  2 IC50

  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 15 hits for monomerid = 22728   

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

LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi:  2.22E+3nM ΔG°:  -7.71kcal/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
TargetCocaine esterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi:  2.22E+3nMAssay Description:Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCocaine esterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi:  2.67E+3nMAssay Description:Inhibition of human intestinal carboxylesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi:  7.21E+3nMAssay Description:Inhibition of human carboxylesterase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi:  7.25E+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
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi:  7.25E+3nMAssay Description:Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human AcetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human BChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
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
TargetLiver carboxylesterase 1(Oryctolagus cuniculus (rabbit))
University Of Mississippi

LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
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
TargetCholinesterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
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
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human AChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Al-Zaytoonah University Of Jordan

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataIC50:  2.12E+6nMAssay Description:Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Al-Zaytoonah University Of Jordan

Curated by ChEMBL
LigandPNGBDBM22728(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Affinity DataIC50:  2.12E+6nMAssay Description:Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed