BDBM26139 1-benzothiophen-2-ylboranediol::1-benzothiophen-2-ylboronic acid, 18::CHEMBL34964::Phenylboronic acid, 11

SMILES OB(O)c1cc2ccccc2s1

InChI Key InChIKey=YNCYPMUJDDXIRH-UHFFFAOYSA-N

Data  3 KI  12 IC50

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 26139   

TargetBeta-lactamase(Escherichia coli)
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataKi:  27nMAssay Description:Inhibitory activity against E. coli AmpC beta-lactamase.More data for this Ligand-Target Pair
TargetBeta-lactamase TEM(Escherichia coli)
Università

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataKi:  27nMAssay Description:Inhibition of Escherichia coli beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataKi:  27nMAssay Description:Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coliMore data for this Ligand-Target Pair
TargetAcyl-protein thioesterase 2(Homo sapiens (Human))
Technical University Of Dortmund

LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  529nMAssay Description:The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  150nMAssay Description:Compound was tested for its specificity against AmpC beta-lactamaseMore data for this Ligand-Target Pair
TargetChymotrypsinogen A(Bos taurus (bovine))
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  5.00E+3nMAssay Description:Compound was tested for its specificity against alpha-chymotrypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrypsin-2(Homo sapiens (Human))
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50: >2.00E+5nMAssay Description:Compound was tested for its specificity against beta-trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  200nMAssay Description:Inhibitory activity against beta-lactamaseMore data for this Ligand-Target Pair
TargetBeta-lactamase(Escherichia coli)
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  200nMAssay Description:Inhibitory activity against beta-lactamase in the presence of 50 mM KPi concentration of bufferMore data for this Ligand-Target Pair
TargetBeta-lactamase(Escherichia coli)
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  300nMAssay Description:Inhibitory activity against beta-lactamase in the presence of 500 mMKPi concentration of bufferMore data for this Ligand-Target Pair
TargetBeta-lactamase(Escherichia coli)
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  200nMAssay Description:Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of bufferMore data for this Ligand-Target Pair
TargetAcyl-protein thioesterase 1(Homo sapiens (Human))
Technical University Of Dortmund

LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  2.30E+3nMAssay Description:The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  200nMAssay Description:Inhibitory activity against Amp C beta-LactamaseMore data for this Ligand-Target Pair
TargetFatty-acid amide hydrolase 1 [30-579](Rattus norvegicus (rat))
University Of Oxford

LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  150nMpH: 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 ArticlePubMed
TargetMonoglyceride lipase(Homo sapiens (Human))
University Of Oxford

LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataIC50:  3.20E+4nMAssay Description:The endpoint enzymatic assay was developed to quantify human recombinant MGL activity with 2-AG. The formation of arachidonic acid and depletion of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed