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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'bebrone' and Initial = 'c'   
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
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50322604
PNG
(2-mercaptophenylphosphonic acid | CHEMBL1173336)
Show SMILES OP(O)(=O)c1ccccc1S
Show InChI InChI=1S/C6H7O3PS/c7-10(8,9)5-3-1-2-4-6(5)11/h1-4,11H,(H2,7,8,9)
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210n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of bovine intestinal alkaline phosphatase


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322609
PNG
(CHEMBL1170023 | diisopropyl mercapto(phenyl)methyl...)
Show SMILES CC(C)OP(=O)(OC(C)C)C(S)c1ccccc1
Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13(18)12-8-6-5-7-9-12/h5-11,13,18H,1-4H3
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250n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322612
PNG
(CHEMBL1173797 | alpha-Sulfanyl(2,4-dichlorobenzyl)...)
Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,10-13H
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400n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322612
PNG
(CHEMBL1173797 | alpha-Sulfanyl(2,4-dichlorobenzyl)...)
Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,10-13H
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400n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322606
PNG
(2-(Sulfanylmethyl)phenylphosphonic acid | CHEMBL11...)
Show SMILES OP(O)(=O)c1ccccc1CS
Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2,(H2,8,9,10)
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500n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322601
PNG
(CHEMBL1173800 | alpha-Sulfanyl(4-chlorobenzyl)phos...)
Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H
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700n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322602
PNG
(CHEMBL1172743 | alpha-Sulfanyl(4-fluorobenzyl)phos...)
Show SMILES OP(O)(O)C(=S)c1ccc(F)cc1
Show InChI InChI=1S/C7H8FO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H
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1.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322600
PNG
(CHEMBL1173799 | alpha-Sulfanyl(4-bromobenzyl)phosp...)
Show SMILES OP(O)(O)C(=S)c1ccc(Br)cc1
Show InChI InChI=1S/C7H8BrO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H
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1.70E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322607
PNG
(CHEMBL1173339 | diisopropyl 1-mercaptopropylphosph...)
Show SMILES CCC(S)P(=O)(OC(C)C)OC(C)C
Show InChI InChI=1S/C9H21O3PS/c1-6-9(14)13(10,11-7(2)3)12-8(4)5/h7-9,14H,6H2,1-5H3
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2.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322605
PNG
(CHEMBL1173337 | Diisopropyl 2-(sulfanylmethyl)phen...)
Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1CS
Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322606
PNG
(2-(Sulfanylmethyl)phenylphosphonic acid | CHEMBL11...)
Show SMILES OP(O)(=O)c1ccccc1CS
Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2,(H2,8,9,10)
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2.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322605
PNG
(CHEMBL1173337 | Diisopropyl 2-(sulfanylmethyl)phen...)
Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1CS
Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3
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3.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322601
PNG
(CHEMBL1173800 | alpha-Sulfanyl(4-chlorobenzyl)phos...)
Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H
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3.80E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322613
PNG
(CHEMBL1173798 | alpha-Sulfanyl(2-methoxybenzyl)pho...)
Show SMILES COc1ccccc1C(=S)P(O)(O)O
Show InChI InChI=1S/C8H11O4PS/c1-12-7-5-3-2-4-6(7)8(14)13(9,10)11/h2-5,9-11,13H,1H3
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4.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322611
PNG
(5-Fluoro-2-sulfanyl-phenylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)c1cc(F)ccc1S
Show InChI InChI=1S/C6H6FO3PS/c7-4-1-2-6(12)5(3-4)11(8,9)10/h1-3,12H,(H2,8,9,10)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322612
PNG
(CHEMBL1173797 | alpha-Sulfanyl(2,4-dichlorobenzyl)...)
Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,10-13H
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5.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322604
PNG
(2-mercaptophenylphosphonic acid | CHEMBL1173336)
Show SMILES OP(O)(=O)c1ccccc1S
Show InChI InChI=1S/C6H7O3PS/c7-10(8,9)5-3-1-2-4-6(5)11/h1-4,11H,(H2,7,8,9)
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7.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322600
PNG
(CHEMBL1173799 | alpha-Sulfanyl(4-bromobenzyl)phosp...)
Show SMILES OP(O)(O)C(=S)c1ccc(Br)cc1
Show InChI InChI=1S/C7H8BrO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H
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8.40E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322613
PNG
(CHEMBL1173798 | alpha-Sulfanyl(2-methoxybenzyl)pho...)
Show SMILES COc1ccccc1C(=S)P(O)(O)O
Show InChI InChI=1S/C8H11O4PS/c1-12-7-5-3-2-4-6(7)8(14)13(9,10)11/h2-5,9-11,13H,1H3
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9.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322604
PNG
(2-mercaptophenylphosphonic acid | CHEMBL1173336)
Show SMILES OP(O)(=O)c1ccccc1S
Show InChI InChI=1S/C6H7O3PS/c7-10(8,9)5-3-1-2-4-6(5)11/h1-4,11H,(H2,7,8,9)
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9.00E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322610
PNG
(CHEMBL1170424 | alpha-Sulfanylbenzylphosphonic aci...)
Show SMILES OP(O)(O)C(=S)c1ccccc1
Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7(12)6-4-2-1-3-5-6/h1-5,8-11H
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1.10E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322604
PNG
(2-mercaptophenylphosphonic acid | CHEMBL1173336)
Show SMILES OP(O)(=O)c1ccccc1S
Show InChI InChI=1S/C6H7O3PS/c7-10(8,9)5-3-1-2-4-6(5)11/h1-4,11H,(H2,7,8,9)
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1.20E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322600
PNG
(CHEMBL1173799 | alpha-Sulfanyl(4-bromobenzyl)phosp...)
Show SMILES OP(O)(O)C(=S)c1ccc(Br)cc1
Show InChI InChI=1S/C7H8BrO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H
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1.30E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322605
PNG
(CHEMBL1173337 | Diisopropyl 2-(sulfanylmethyl)phen...)
Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1CS
Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3
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1.40E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322608
PNG
(CHEMBL1172388 | alpha-Sulfanylpropylphosphonic aci...)
Show SMILES CCC(=S)P(O)(O)O
Show InChI InChI=1S/C3H9O3PS/c1-2-3(8)7(4,5)6/h4-7H,2H2,1H3
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1.50E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322613
PNG
(CHEMBL1173798 | alpha-Sulfanyl(2-methoxybenzyl)pho...)
Show SMILES COc1ccccc1C(=S)P(O)(O)O
Show InChI InChI=1S/C8H11O4PS/c1-12-7-5-3-2-4-6(7)8(14)13(9,10)11/h2-5,9-11,13H,1H3
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1.50E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322609
PNG
(CHEMBL1170023 | diisopropyl mercapto(phenyl)methyl...)
Show SMILES CC(C)OP(=O)(OC(C)C)C(S)c1ccccc1
Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13(18)12-8-6-5-7-9-12/h5-11,13,18H,1-4H3
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1.60E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322602
PNG
(CHEMBL1172743 | alpha-Sulfanyl(4-fluorobenzyl)phos...)
Show SMILES OP(O)(O)C(=S)c1ccc(F)cc1
Show InChI InChI=1S/C7H8FO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H
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1.80E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Beta-lactamase OXA-10


(Pseudomonas aeruginosa)
BDBM50293713
PNG
(CHEMBL553476 | Tribenzyl 2-(2-phenoxyacetamido)ami...)
Show SMILES O=C(COc1ccccc1)NC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C35H33NO8/c37-31(26-41-30-19-11-4-12-20-30)36-35(34(40)44-25-29-17-9-3-10-18-29,21-32(38)42-23-27-13-5-1-6-14-27)22-33(39)43-24-28-15-7-2-8-16-28/h1-20H,21-26H2,(H,36,37)
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2.00E+4n/an/an/an/an/an/a7.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Competitive inhibition of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
BindingDB Entry DOI: 10.7270/Q2W9597J
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322602
PNG
(CHEMBL1172743 | alpha-Sulfanyl(4-fluorobenzyl)phos...)
Show SMILES OP(O)(O)C(=S)c1ccc(F)cc1
Show InChI InChI=1S/C7H8FO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H
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>2.00E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322609
PNG
(CHEMBL1170023 | diisopropyl mercapto(phenyl)methyl...)
Show SMILES CC(C)OP(=O)(OC(C)C)C(S)c1ccccc1
Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13(18)12-8-6-5-7-9-12/h5-11,13,18H,1-4H3
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2.00E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322601
PNG
(CHEMBL1173800 | alpha-Sulfanyl(4-chlorobenzyl)phos...)
Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H
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2.40E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322610
PNG
(CHEMBL1170424 | alpha-Sulfanylbenzylphosphonic aci...)
Show SMILES OP(O)(O)C(=S)c1ccccc1
Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7(12)6-4-2-1-3-5-6/h1-5,8-11H
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3.20E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322607
PNG
(CHEMBL1173339 | diisopropyl 1-mercaptopropylphosph...)
Show SMILES CCC(S)P(=O)(OC(C)C)OC(C)C
Show InChI InChI=1S/C9H21O3PS/c1-6-9(14)13(10,11-7(2)3)12-8(4)5/h7-9,14H,6H2,1-5H3
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322608
PNG
(CHEMBL1172388 | alpha-Sulfanylpropylphosphonic aci...)
Show SMILES CCC(=S)P(O)(O)O
Show InChI InChI=1S/C3H9O3PS/c1-2-3(8)7(4,5)6/h4-7H,2H2,1H3
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322607
PNG
(CHEMBL1173339 | diisopropyl 1-mercaptopropylphosph...)
Show SMILES CCC(S)P(=O)(OC(C)C)OC(C)C
Show InChI InChI=1S/C9H21O3PS/c1-6-9(14)13(10,11-7(2)3)12-8(4)5/h7-9,14H,6H2,1-5H3
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322611
PNG
(5-Fluoro-2-sulfanyl-phenylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)c1cc(F)ccc1S
Show InChI InChI=1S/C6H6FO3PS/c7-4-1-2-6(12)5(3-4)11(8,9)10/h1-3,12H,(H2,8,9,10)
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4.00E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322611
PNG
(5-Fluoro-2-sulfanyl-phenylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)c1cc(F)ccc1S
Show InChI InChI=1S/C6H6FO3PS/c7-4-1-2-6(12)5(3-4)11(8,9)10/h1-3,12H,(H2,8,9,10)
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322606
PNG
(2-(Sulfanylmethyl)phenylphosphonic acid | CHEMBL11...)
Show SMILES OP(O)(=O)c1ccccc1CS
Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2,(H2,8,9,10)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322608
PNG
(CHEMBL1172388 | alpha-Sulfanylpropylphosphonic aci...)
Show SMILES CCC(=S)P(O)(O)O
Show InChI InChI=1S/C3H9O3PS/c1-2-3(8)7(4,5)6/h4-7H,2H2,1H3
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>8.00E+4n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Beta-lactamase OXA-10


(Pseudomonas aeruginosa)
BDBM50293712
PNG
(CHEMBL561821 | Tribenzyl 2-aminopropane-1,2,3-tric...)
Show SMILES NC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27NO6/c28-27(26(31)34-20-23-14-8-3-9-15-23,16-24(29)32-18-21-10-4-1-5-11-21)17-25(30)33-19-22-12-6-2-7-13-22/h1-15H,16-20,28H2
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9.50E+4n/an/an/an/an/an/a7.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inactivation of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
BindingDB Entry DOI: 10.7270/Q2W9597J
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322610
PNG
(CHEMBL1170424 | alpha-Sulfanylbenzylphosphonic aci...)
Show SMILES OP(O)(O)C(=S)c1ccccc1
Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7(12)6-4-2-1-3-5-6/h1-5,8-11H
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322603
PNG
(CHEMBL1172387 | diisopropyl 2-mercaptophenylphosph...)
Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1S
Show InChI InChI=1S/C12H19O3PS/c1-9(2)14-16(13,15-10(3)4)11-7-5-6-8-12(11)17/h5-10,17H,1-4H3
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>2.50E+5n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50322603
PNG
(CHEMBL1172387 | diisopropyl 2-mercaptophenylphosph...)
Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1S
Show InChI InChI=1S/C12H19O3PS/c1-9(2)14-16(13,15-10(3)4)11-7-5-6-8-12(11)17/h5-10,17H,1-4H3
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>2.50E+5n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Beta-lactamase


(Bacillus licheniformis)
BDBM50244091
PNG
(1,2-Dicarboxy-1-carboxymethyl-ethyl-ammonium chlor...)
Show SMILES [NH3+]C(CC(O)=O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO6/c7-6(5(12)13,1-3(8)9)2-4(10)11/h1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/p+1
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2.50E+5n/an/an/an/an/an/a5.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
BindingDB Entry DOI: 10.7270/Q2W9597J
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50322603
PNG
(CHEMBL1172387 | diisopropyl 2-mercaptophenylphosph...)
Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1S
Show InChI InChI=1S/C12H19O3PS/c1-9(2)14-16(13,15-10(3)4)11-7-5-6-8-12(11)17/h5-10,17H,1-4H3
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>2.50E+5n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila cphA


J Med Chem 53: 4862-76 (2010)


Article DOI: 10.1021/jm100213c
BindingDB Entry DOI: 10.7270/Q2057G34
More data for this
Ligand-Target Pair
Beta-lactamase


(Bacillus licheniformis)
BDBM14672
PNG
(2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL...)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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4.90E+5n/an/an/an/an/an/a5.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
BindingDB Entry DOI: 10.7270/Q2W9597J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Bacillus licheniformis)
BDBM50244093
PNG
(1-hydroxypropane-1,2,3-tricarboxylate | isocitrate...)
Show SMILES OC(C(CC([O-])=O)C([O-])=O)C([O-])=O
Show InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.20E+6n/an/an/an/an/an/a5.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
BindingDB Entry DOI: 10.7270/Q2W9597J
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50556276
PNG
(CHEMBL4758987)
Show SMILES Cc1ccccc1-c1n[nH]c(=S)n1\N=C\c1ccc(OCc2ccccc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Glyoxalase-1 expressed in Escherichia coli BL21 (DE3)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112720
BindingDB Entry DOI: 10.7270/Q2QZ2FM0
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50556278
PNG
(CHEMBL4754312)
Show SMILES OC(=O)c1ccccc1\C=N\n1c(n[nH]c1=S)-c1ccc2ccccc2c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.32E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Glyoxalase-1 expressed in Escherichia coli BL21 (DE3)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112720
BindingDB Entry DOI: 10.7270/Q2QZ2FM0
More data for this
Ligand-Target Pair
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