BDBM26142 (2-phenylethyl)boranediol::Alkylboronic Acid, 21

SMILES OB(O)CCc1ccccc1

InChI Key InChIKey=VPRUMANMDWQMNF-UHFFFAOYSA-N

Data  9 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

  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 11 hits for monomerid = 26142   

TargetMonoglyceride lipase(Human)
University of Oxford

LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataAssay Description:[3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetFatty-acid amide hydrolase 1 [30-579](Rat)
University of Oxford

LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataIC50: 1.30E+3nMpH: 7.4 T: 2°CAssay Description:[3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetChymotrypsinogen A(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataKi:  40nMAssay Description:Inhibition constant against ChymotrypsinogenMore data for this Ligand-Target Pair
In DepthDetails Article
PDB3D3D Structure (crystal)
TargetCarbonic anhydrase 1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataKi:  1.14E+4nMAssay Description:Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataKi:  1.79E+4nMAssay Description:Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase TEM(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataKi:  2.98E+4nMAssay Description:Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubtilisin BL(Bacillus lentus)
TBA

Curated by ChEMBL
LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataKi:  9.50E+4nMAssay Description:Competitive inhibition of Subtilisin BL M222S-mutated enzyme from Bacillus lentusMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubtilisin BL(Bacillus lentus)
TBA

Curated by ChEMBL
LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataKi:  8.01E+5nMAssay Description:Competitive inhibition of Subtilisin BL wild type enzyme from Bacillus lentusMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubtilisin Carlsberg(Bacillus licheniformis)
TBA

Curated by ChEMBL
LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataKi:  2.57E+5nMAssay Description:Competitive inhibition of Subtilisin Carlsberg enzyme from Bacillus lentusMore data for this Ligand-Target Pair
In DepthDetails Article

TargetCarbonic anhydrase(Yeast)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataKi:  4.12E+5nMAssay Description:Inhibition of Candida albicans recombinant Carbonic anhydrase pre-incubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSubtilisin BL(Bacillus lentus)
TBA

Curated by ChEMBL
LigandPNGBDBM26142((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Affinity DataKi:  2.41E+5nMAssay Description:Competitive inhibition of Subtilisin BL M222C-mutated enzyme from Bacillus lentusMore data for this Ligand-Target Pair
In DepthDetails Article