BindingDB PrimarySearch

BDBM26140 1-benzofuran-2-ylboranediol::1-benzofuran-2-ylboronic acid, 19::CHEMBL143399::Phenylboronic acid, 21

InChI string: InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H

SMILES: OB(O)c1cc2ccccc2o1

InChI Key: InChIKey=PKRRNTJIHGOMRC-UHFFFAOYSA-N

Data: 1 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 26140
Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-lactamase AmpC (Escherichia coli)	BDBM26140 (1-benzofuran-2-ylboranediol \| 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998)
Northwestern University Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Anandamide amidohydrolase (Rattus norvegicus (rat))	BDBM26140 (1-benzofuran-2-ylboranediol \| 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	7.4	37
University of Oxford					Assay Description [3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase...				J Med Chem 51: 7057-60 (2008)
University of Oxford					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 (Homo sapiens (Human))	BDBM26140 (1-benzofuran-2-ylboranediol \| 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...				Chembiochem 14: 115-22 (2013)
Technical University of Dortmund					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM26140 (1-benzofuran-2-ylboranediol \| 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against AmpC beta-lactamase				J Med Chem 41: 4577-86 (1998)
Northwestern University Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM26140 (1-benzofuran-2-ylboranediol \| 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against alpha-chymotrypsin				J Med Chem 41: 4577-86 (1998)
Northwestern University Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin (Homo sapiens)	BDBM26140 (1-benzofuran-2-ylboranediol \| 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998)
Northwestern University Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Monoglyceride Lipase (MGL) (Homo sapiens (human))	BDBM26140 (1-benzofuran-2-ylboranediol \| 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description The endpoint enzymatic assay was developed to quantify human recombinant MGL activity with 2-AG. The formation of arachidonic acid and depletion of ...				J Med Chem 51: 7057-60 (2008)
University of Oxford					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM26140 (1-benzofuran-2-ylboranediol \| 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF...				Chembiochem 14: 115-22 (2013)
Technical University of Dortmund					More data for this Ligand-Target Pair