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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 121.9
BDBM26996
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Wt: 161.9
BDBM26140
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Wt: 149.9
BDBM26142
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Wt: 160.1
BDBM93014
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Wt: 161.1
BDBM93015
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Wt: 160.1
BDBM93016
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Wt: 160.1
BDBM93018
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Wt: 160.1
BDBM93020
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Wt: 160.1
BDBM93022
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Wt: 161.1
BDBM50004955
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Wt: 115.9
BDBM50067888
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Wt: 162.4
BDBM50067891
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Wt: 127.9
BDBM50067899
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Wt: 162.0
BDBM50280216
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Wt: 119.9
BDBM50283476
Displayed 1 to 15 (of 364 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 146 hits in this display   
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined against Chymotrypsinogen


Bioorg Med Chem Lett 2: 1391-1394 (1992)


Article DOI: 10.1016/S0960-894X(00)80519-3
BindingDB Entry DOI: 10.7270/Q23T9H47
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-chymotrypsin


(Bos taurus (bovine))
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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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined against Chymotrypsinogen


Bioorg Med Chem Lett 2: 1391-1394 (1992)


Article DOI: 10.1016/S0960-894X(00)80519-3
BindingDB Entry DOI: 10.7270/Q23T9H47
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(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
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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230n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells


J Med Chem 38: 13-5 (1995)


Article DOI: 10.1021/jm00001a004
BindingDB Entry DOI: 10.7270/Q2D50P5K
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(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
Carbonic anhydrase 4


(Homo sapiens (human))
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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880n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase isozyme hCA IV


Bioorg Med Chem Lett 14: 5769-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.063
BindingDB Entry DOI: 10.7270/Q24X58JJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
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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880n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 19: 1155-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.082
BindingDB Entry DOI: 10.7270/Q2KD1W79
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM50280216
PNG
(Borinic acid derivative | CHEMBL31523 | Phenyl but...)
Show SMILES CCCCB(O)c1ccccc1
Show InChI InChI=1S/C10H15BO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of subtilisin


Bioorg Med Chem Lett 4: 2417-2420 (1994)


Article DOI: 10.1016/S0960-894X(01)80401-7
BindingDB Entry DOI: 10.7270/Q23J3CXV
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(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 AmpC


(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
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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3.40E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of pig kidney DAAO in presence of D-alanine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
Alpha-carbonic anhydrase


(Vibrio cholerae)
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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7.00E+3 -28.9n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50280216
PNG
(Borinic acid derivative | CHEMBL31523 | Phenyl but...)
Show SMILES CCCCB(O)c1ccccc1
Show InChI InChI=1S/C10H15BO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of chymotrypsin


Bioorg Med Chem Lett 4: 2417-2420 (1994)


Article DOI: 10.1016/S0960-894X(01)80401-7
BindingDB Entry DOI: 10.7270/Q23J3CXV
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
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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8.00E+3n/an/an/an/an/an/a8.3n/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for...


Bioorg Med Chem 23: 4831-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.029
BindingDB Entry DOI: 10.7270/Q20V8FK8
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50280216
PNG
(Borinic acid derivative | CHEMBL31523 | Phenyl but...)
Show SMILES CCCCB(O)c1ccccc1
Show InChI InChI=1S/C10H15BO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3
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8.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined against Chymotrypsinogen


Bioorg Med Chem Lett 2: 1391-1394 (1992)


Article DOI: 10.1016/S0960-894X(00)80519-3
BindingDB Entry DOI: 10.7270/Q23T9H47
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Stylophora pistillata)
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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8.10E+3n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
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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8.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7


Bioorg Med Chem Lett 16: 3139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.078
BindingDB Entry DOI: 10.7270/Q29W0G8R
More data for this
Ligand-Target Pair
Astrosclerin-3


(Astrosclera willeyana)
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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9.60E+3n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Astrosclera willeyana recombinant GST-tagged astrosclerin 3 expressed in Escherichia coli BL21-DE3-RIPL cells preincubated for 15 mins ...


Bioorg Med Chem Lett 22: 1314-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.085
BindingDB Entry DOI: 10.7270/Q2W66M7M
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(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
Carbonic anhydrase


(Homo sapiens (human))
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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1.14E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 19: 2642-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.147
BindingDB Entry DOI: 10.7270/Q27D2V4T
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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1.79E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 19: 2642-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.147
BindingDB Entry DOI: 10.7270/Q27D2V4T
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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2.98E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50283476
PNG
(CHEMBL78562 | Phenyl methyl borinic acid)
Show SMILES CB(O)c1ccccc1
Show InChI InChI=1S/C7H9BO/c1-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of chymotrypsin


Bioorg Med Chem Lett 4: 2417-2420 (1994)


Article DOI: 10.1016/S0960-894X(01)80401-7
BindingDB Entry DOI: 10.7270/Q23J3CXV
More data for this
Ligand-Target Pair
Succinyl-diaminopimelate desuccinylase


(Haemophilus influenzae)
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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5.69E+4n/an/an/an/an/an/an/an/a



Loyola University

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae recombinant DapE by competitive binding assay


Bioorg Med Chem Lett 19: 6350-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.077
BindingDB Entry DOI: 10.7270/Q2833T06
More data for this
Ligand-Target Pair
Succinyl-diaminopimelate desuccinylase


(Haemophilus influenzae)
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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6.70E+4n/an/an/an/an/an/an/an/a



Loyola University

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae recombinant DapE by non-competitive binding assay


Bioorg Med Chem Lett 19: 6350-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.077
BindingDB Entry DOI: 10.7270/Q2833T06
More data for this
Ligand-Target Pair
Carbonic Anhydrase XV


(Mus musculus (mouse))
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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6.78E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 19: 1155-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.082
BindingDB Entry DOI: 10.7270/Q2KD1W79
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (βCA)


(Helicobacter pylori)
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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PubMed
7.30E+4 -23.6n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Gamma-carbonic anhydrase


(Vibrio cholerae)
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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8.10E+4 -23.0n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase


(Vibrio cholerae)
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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8.50E+4 -22.8n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
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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9.20E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA14


Bioorg Med Chem Lett 17: 1532-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.113
BindingDB Entry DOI: 10.7270/Q29886PN
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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9.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
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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9.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
α-Carbonic anhydrase (αCA)


(Helicobacter pylori)
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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9.70E+4 -22.9n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Alpha-carbonic anhydrase


(Helicobacter pylori (strain G27))
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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9.70E+4 -22.5n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida glabrata)
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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1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 4802-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.048
BindingDB Entry DOI: 10.7270/Q2R212BT
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
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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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
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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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 4406-4409 (2016)


Article DOI: 10.1016/j.bmc.2016.07.035
BindingDB Entry DOI: 10.7270/Q2HM5BDW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
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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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 4406-4409 (2016)


Article DOI: 10.1016/j.bmc.2016.07.035
BindingDB Entry DOI: 10.7270/Q2HM5BDW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
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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1.20E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant catalytic domain CA9


Bioorg Med Chem Lett 17: 1532-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.113
BindingDB Entry DOI: 10.7270/Q29886PN
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
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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1.41E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
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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1.55E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL M222C-mutated enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Methanobacterium thermoautotrophicum)
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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2.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against methanoarchaeon Methanobacterium thermoautotrophicum (Cab)


Bioorg Med Chem Lett 14: 4563-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.073
BindingDB Entry DOI: 10.7270/Q2H995ZD
More data for this
Ligand-Target Pair
Gamma-carbonic anhydrase


(Methanosarcina thermophila)
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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2.30E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against Zn-Cam (Methanosarcina thermophila)


Bioorg Med Chem Lett 14: 4563-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.073
BindingDB Entry DOI: 10.7270/Q2H995ZD
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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2.41E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL M222C-mutated enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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2.57E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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4.12E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans recombinant Carbonic anhydrase preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 19: 2642-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.147
BindingDB Entry DOI: 10.7270/Q27D2V4T
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
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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4.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of subtilisin


Bioorg Med Chem Lett 4: 2417-2420 (1994)


Article DOI: 10.1016/S0960-894X(01)80401-7
BindingDB Entry DOI: 10.7270/Q23J3CXV
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(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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4.91E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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PubMed
6.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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PubMed
6.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
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