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PubMed code 9804697

Compile data set for download or QSAR
Found 61 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase


(Escherichia coli)
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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27n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Escherichia coli)
BDBM50067910
PNG
(4,4'-Bis-dihydroxyboranyl-biphenyl | 4,4'-biphenyl...)
Show SMILES OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O
Show InChI InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
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200n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Escherichia coli)
BDBM26140
PNG
(1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...)
Show SMILES OB(O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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220n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067891
PNG
(5-chlorothiophen-2-ylboronic acid | 5-chlorothiphe...)
Show SMILES OB(O)c1ccc(Cl)s1
Show InChI InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
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410n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067911
PNG
(4-methylthiophene 2-boronic acid | CHEMBL334931)
Show SMILES Cc1csc(c1)B(O)O
Show InChI InChI=1S/C5H7BO2S/c1-4-2-5(6(7)8)9-3-4/h2-3,7-8H,1H3
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500n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067907
PNG
(CHEMBL342173 | benzo[b]thiophene3-boronic acid)
Show SMILES OB(O)c1csc2ccccc12
Show InChI InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
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780n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM26124
PNG
(CHEMBL336239 | Phenylboronic Acid, 3 | [3-(trifluo...)
Show SMILES OB(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
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1.10E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067898
PNG
(3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067888
PNG
((3R)-tetrahydrofuran boronic acid | CHEMBL140723)
Show SMILES OB(O)[C@@H]1CCOC1
Show InChI InChI=1S/C4H9BO3/c6-5(7)4-1-2-8-3-4/h4,6-7H,1-3H2/t4-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067890
PNG
(2-thienyl-1-ethanone5-boronic acid | 5-acetylthiop...)
Show SMILES CC(=O)c1ccc(s1)B(O)O
Show InChI InChI=1S/C6H7BO3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3,9-10H,1H3
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1.60E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067887
PNG
(3-NITROPHENYLBORONIC ACID | 3-Nitro-phenyl-1-dihyd...)
Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
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1.70E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Escherichia coli)
BDBM50067899
PNG
(2-Thiopheneboronicacid | CHEMBL141272 | Thiophene-...)
Show SMILES OB(O)c1cccs1
Show InChI InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
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2.50E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067885
PNG
(4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...)
Show SMILES OB(O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
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2.90E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Escherichia coli)
BDBM50067894
PNG
(4-benzaldehyde boronic acid | CHEMBL140254)
Show SMILES OB(O)c1ccc(C=O)cc1
Show InChI InChI=1S/C7H7BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5,10-11H
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2.90E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM26129
PNG
(CHEMBL143654 | Phenylboronic Acid, 8 | [4-(trifluo...)
Show SMILES OB(O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
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3.00E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067892
PNG
(4-Bromophenyl-boronic acid | 4-bromo phenyl boroni...)
Show SMILES OB(O)c1ccc(Br)cc1
Show InChI InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
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3.60E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067901
PNG
(3-thiophenecarbaldehyde boronic acid | CHEMBL33493...)
Show SMILES OB(O)c1sccc1C=O
Show InChI InChI=1S/C5H5BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H
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3.80E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067903
PNG
(1,4 phenyl diboronic acid | CHEMBL140916)
Show SMILES OB(O)c1ccc(cc1)B(O)O
Show InChI InChI=1S/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H
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3.90E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067886
PNG
(3-(4-boronophenyl)acrylic acid | 4-(CARBOXYVIN-2-Y...)
Show SMILES OB(O)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
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4.20E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Escherichia coli)
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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5.40E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067900
PNG
(3-phenylpropylester boronic acid | CHEMBL140747)
Show SMILES OB(O)c1cccc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C9H9BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6,13-14H,(H,11,12)/b5-4+
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5.90E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM26133
PNG
((4-methoxyphenyl)boranediol | CHEMBL21427 | Phenyl...)
Show SMILES COc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
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5.90E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM26128
PNG
((4-fluorophenyl)boranediol | CHEMBL344890 | Phenyl...)
Show SMILES OB(O)c1ccc(F)cc1
Show InChI InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
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6.40E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067909
PNG
(9-phenanthrene boronic acid | CHEMBL140467)
Show SMILES OB(O)c1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C14H11BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16-17H
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7.00E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067906
PNG
((3-aminophenyl)boronic acid, 1 | 3-aminophenyl bor...)
Show SMILES Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
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7.30E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Escherichia coli)
BDBM50067913
PNG
(2 -phenylnaphthalene boronic acid | 2-naphthalene ...)
Show SMILES OB(O)c1ccc2ccccc2c1
Show InChI InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
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8.50E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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1.05E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067908
PNG
(5-1H-indole boronic acid | CHEMBL342460)
Show SMILES OB(O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H8BNO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10-12H
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1.09E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067896
PNG
(1-naphthalene boronic acid | 1-naphthalene boronic...)
Show SMILES OB(O)c1cccc2ccccc12
Show InChI InChI=1S/C10H9BO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12-13H
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1.20E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067905
PNG
((3S)-tetrahydrofuran boronic acid | CHEMBL143927)
Show SMILES OB(O)[C@H]1CCOC1
Show InChI InChI=1S/C4H9BO3/c6-5(7)4-1-2-8-3-4/h4,6-7H,1-3H2/t4-/m0/s1
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1.58E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067902
PNG
(CHEMBL341722 | Thiophene-3-boronic acid | thiophen...)
Show SMILES OB(O)c1ccsc1
Show InChI InChI=1S/C4H5BO2S/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
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2.21E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067904
PNG
(2-benzaldehyde boronic acid | CHEMBL139725)
Show SMILES OB(O)c1ccccc1C=O
Show InChI InChI=1S/C7H7BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,10-11H
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2.53E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067897
PNG
(5-benzo[d][1,3]dioxole boronic acid | CHEMBL141313)
Show SMILES OB(O)c1ccc2OCOc2c1
Show InChI InChI=1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2
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5.34E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067889
PNG
(CHEMBL81556 | Diphenyl Borinic acid)
Show SMILES OB(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C12H11BO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
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>1.00E+5n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067893
PNG
(3-Carboxyphenylboronicacid | 3-boronobenzoic acid ...)
Show SMILES OB(O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
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>1.00E+5n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067912
PNG
(2-furan boronic acid | CHEMBL142083 | furan 2-boro...)
Show SMILES OB(O)c1ccco1
Show InChI InChI=1S/C4H5BO3/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
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>1.00E+5n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a 150n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Escherichia coli)
BDBM26140
PNG
(1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...)
Show SMILES OB(O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a 600n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067891
PNG
(5-chlorothiophen-2-ylboronic acid | 5-chlorothiphe...)
Show SMILES OB(O)c1ccc(Cl)s1
Show InChI InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
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n/an/a 2.00E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067887
PNG
(3-NITROPHENYLBORONIC ACID | 3-Nitro-phenyl-1-dihyd...)
Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
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n/an/a 5.00E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a 5.00E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067888
PNG
((3R)-tetrahydrofuran boronic acid | CHEMBL140723)
Show SMILES OB(O)[C@@H]1CCOC1
Show InChI InChI=1S/C4H9BO3/c6-5(7)4-1-2-8-3-4/h4,6-7H,1-3H2/t4-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067898
PNG
(3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM26124
PNG
(CHEMBL336239 | Phenylboronic Acid, 3 | [3-(trifluo...)
Show SMILES OB(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
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n/an/a 5.00E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50067899
PNG
(2-Thiopheneboronicacid | CHEMBL141272 | Thiophene-...)
Show SMILES OB(O)c1cccs1
Show InChI InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
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n/an/a 1.00E+4n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM26140
PNG
(1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...)
Show SMILES OB(O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a 1.40E+4n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))
BDBM50067898
PNG
(3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50067891
PNG
(5-chlorothiophen-2-ylboronic acid | 5-chlorothiphe...)
Show SMILES OB(O)c1ccc(Cl)s1
Show InChI InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
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n/an/a>1.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50067898
PNG
(3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))
BDBM50067899
PNG
(2-Thiopheneboronicacid | CHEMBL141272 | Thiophene-...)
Show SMILES OB(O)c1cccs1
Show InChI InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))
BDBM50067888
PNG
((3R)-tetrahydrofuran boronic acid | CHEMBL140723)
Show SMILES OB(O)[C@@H]1CCOC1
Show InChI InChI=1S/C4H9BO3/c6-5(7)4-1-2-8-3-4/h4,6-7H,1-3H2/t4-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM26124
PNG
(CHEMBL336239 | Phenylboronic Acid, 3 | [3-(trifluo...)
Show SMILES OB(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50067899
PNG
(2-Thiopheneboronicacid | CHEMBL141272 | Thiophene-...)
Show SMILES OB(O)c1cccs1
Show InChI InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50067887
PNG
(3-NITROPHENYLBORONIC ACID | 3-Nitro-phenyl-1-dihyd...)
Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))
BDBM50067887
PNG
(3-NITROPHENYLBORONIC ACID | 3-Nitro-phenyl-1-dihyd...)
Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))
BDBM26140
PNG
(1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...)
Show SMILES OB(O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))
BDBM26124
PNG
(CHEMBL336239 | Phenylboronic Acid, 3 | [3-(trifluo...)
Show SMILES OB(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50067888
PNG
((3R)-tetrahydrofuran boronic acid | CHEMBL140723)
Show SMILES OB(O)[C@@H]1CCOC1
Show InChI InChI=1S/C4H9BO3/c6-5(7)4-1-2-8-3-4/h4,6-7H,1-3H2/t4-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Trypsin-2


(Homo sapiens (Human))
BDBM50067891
PNG
(5-chlorothiophen-2-ylboronic acid | 5-chlorothiphe...)
Show SMILES OB(O)c1ccc(Cl)s1
Show InChI InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
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n/an/a>2.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%