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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'beceiro' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182452
PNG
(CHEMBL3818567)
Show SMILES [Na+].O[C@@H]1C=C(C[C@@H](OCc2cccc(c2)[N+]([O-])=O)[C@@H]1O)C([O-])=O
Show InChI InChI=1S/C14H15NO7.Na/c16-11-5-9(14(18)19)6-12(13(11)17)22-7-8-2-1-3-10(4-8)15(20)21;/h1-5,11-13,16-17H,6-7H2,(H,18,19);/q;+1/p-1/t11-,12-,13-;/m1./s1
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460n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182448
PNG
(CHEMBL3818824)
Show SMILES O[C@@H]1C=C(C[C@@H](OCc2ccc3sccc3c2)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C16H16O5S/c17-12-6-11(16(19)20)7-13(15(12)18)21-8-9-1-2-14-10(5-9)3-4-22-14/h1-6,12-13,15,17-18H,7-8H2,(H,19,20)/t12-,13-,15-/m1/s1
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560n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182479
PNG
(CHEMBL3818668)
Show SMILES COc1cccc(CO[C@@H]2CC(=C[C@@H](O)[C@H]2O)C(O)=O)c1
Show InChI InChI=1S/C15H18O6/c1-20-11-4-2-3-9(5-11)8-21-13-7-10(15(18)19)6-12(16)14(13)17/h2-6,12-14,16-17H,7-8H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182478
PNG
(CHEMBL3819175)
Show SMILES O[C@@H]1C=C(C[C@@H](OCc2cccc(F)c2)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C14H15FO5/c15-10-3-1-2-8(4-10)7-20-12-6-9(14(18)19)5-11(16)13(12)17/h1-5,11-13,16-17H,6-7H2,(H,18,19)/t11-,12-,13-/m1/s1
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1.28E+3n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182449
PNG
(CHEMBL3819573)
Show SMILES O[C@@H]1C=C(C[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C18H18O5/c19-15-8-14(18(21)22)9-16(17(15)20)23-10-11-5-6-12-3-1-2-4-13(12)7-11/h1-8,15-17,19-20H,9-10H2,(H,21,22)/t15-,16-,17-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182476
PNG
(CHEMBL3818740)
Show SMILES Cc1cccc(CO[C@@H]2CC(=C[C@@H](O)[C@H]2O)C(O)=O)c1
Show InChI InChI=1S/C15H18O5/c1-9-3-2-4-10(5-9)8-20-13-7-11(15(18)19)6-12(16)14(13)17/h2-6,12-14,16-17H,7-8H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182480
PNG
(CHEMBL3818794)
Show SMILES O[C@@H]1C=C(C[C@@H](OCc2ccccc2)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C14H16O5/c15-11-6-10(14(17)18)7-12(13(11)16)19-8-9-4-2-1-3-5-9/h1-6,11-13,15-16H,7-8H2,(H,17,18)/t11-,12-,13-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182451
PNG
(CHEMBL3818120)
Show SMILES Cc1ccc(CO[C@@H]2CC(=C[C@@H](O)[C@H]2O)C(O)=O)cc1
Show InChI InChI=1S/C15H18O5/c1-9-2-4-10(5-3-9)8-20-13-7-11(15(18)19)6-12(16)14(13)17/h2-6,12-14,16-17H,7-8H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1
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1.09E+4n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182450
PNG
(CHEMBL3818962)
Show SMILES [Na+].O[C@@H]1C=C(C[C@@H](OCc2c(F)c(F)c(F)c(F)c2F)[C@@H]1O)C([O-])=O
Show InChI InChI=1S/C14H11F5O5.Na/c15-8-5(9(16)11(18)12(19)10(8)17)3-24-7-2-4(14(22)23)1-6(20)13(7)21;/h1,6-7,13,20-21H,2-3H2,(H,22,23);/q;+1/p-1/t6-,7-,13-;/m1./s1
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4.10E+4n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182481
PNG
(CHEMBL3818698)
Show SMILES O[C@@H]1C=C(C[C@H]([C@@H]1O)n1cc(COc2ccccc2)nn1)C(O)=O
Show InChI InChI=1S/C16H17N3O5/c20-14-7-10(16(22)23)6-13(15(14)21)19-8-11(17-18-19)9-24-12-4-2-1-3-5-12/h1-5,7-8,13-15,20-21H,6,9H2,(H,22,23)/t13-,14-,15+/m1/s1
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6.70E+4n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182447
PNG
(CHEMBL3819604)
Show SMILES O[C@@H]1C=C(C[C@H]([C@@H]1O)n1cc(Cc2ccccc2)nn1)C(O)=O
Show InChI InChI=1S/C16H17N3O4/c20-14-8-11(16(22)23)7-13(15(14)21)19-9-12(17-18-19)6-10-4-2-1-3-5-10/h1-5,8-9,13-15,20-21H,6-7H2,(H,22,23)/t13-,14-,15+/m1/s1
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9.50E+4n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182483
PNG
(CHEMBL3819040)
Show SMILES [Na+].N[C@H]1C=C(C[C@@H](OCc2ccc3sccc3c2)[C@@H]1O)C([O-])=O
Show InChI InChI=1S/C16H17NO4S.Na/c17-12-6-11(16(19)20)7-13(15(12)18)21-8-9-1-2-14-10(5-9)3-4-22-14;/h1-6,12-13,15,18H,7-8,17H2,(H,19,20);/q;+1/p-1/t12-,13+,15+;/m0./s1
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5.35E+5n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
Shikimate kinase


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50182482
PNG
(CHEMBL3817864)
Show SMILES [Na+].N[C@H]1C=C(C[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O)C([O-])=O
Show InChI InChI=1S/C18H19NO4.Na/c19-15-8-14(18(21)22)9-16(17(15)20)23-10-11-5-6-12-3-1-2-4-13(12)7-11;/h1-8,15-17,20H,9-10,19H2,(H,21,22);/q;+1/p-1/t15-,16+,17+;/m0./s1
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>8.00E+5n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...


J Med Chem 59: 5471-87 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00483
BindingDB Entry DOI: 10.7270/Q2JW8GT4
More data for this
Ligand-Target Pair
ADC-14 protein


(Acinetobacter genomosp. 3)
BDBM50021954
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)
Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 65 ADC-14


Antimicrob Agents Chemother 53: 1177-84 (2009)


Article DOI: 10.1128/AAC.00485-08
BindingDB Entry DOI: 10.7270/Q2CN7454
More data for this
Ligand-Target Pair
ADC-16 protein


(Acinetobacter genomosp. 3)
BDBM50021954
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)
Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
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n/an/a 7.76E+3n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 103 ADC-16


Antimicrob Agents Chemother 53: 1177-84 (2009)


Article DOI: 10.1128/AAC.00485-08
BindingDB Entry DOI: 10.7270/Q2CN7454
More data for this
Ligand-Target Pair
VIM-1


(Pseudomonas aeruginosa)
BDBM50330325
PNG
(2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...)
Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Hospital Son Dureta

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 mins


Antimicrob Agents Chemother 52: 3589-96 (2008)


Article DOI: 10.1128/AAC.00465-08
BindingDB Entry DOI: 10.7270/Q2JQ1186
More data for this
Ligand-Target Pair
ADC-18 protein


(Acinetobacter genomosp. 3)
BDBM50021954
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)
Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 195 ADC-18


Antimicrob Agents Chemother 53: 1177-84 (2009)


Article DOI: 10.1128/AAC.00485-08
BindingDB Entry DOI: 10.7270/Q2CN7454
More data for this
Ligand-Target Pair
VIM-1


(Pseudomonas aeruginosa)
BDBM26116
PNG
(CHEMBL284104 | Dipicolinate | pyridine carboxylate...)
Show SMILES OC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 4.16E+4n/an/an/an/an/an/a



Hospital Son Dureta

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 mins


Antimicrob Agents Chemother 52: 3589-96 (2008)


Article DOI: 10.1128/AAC.00465-08
BindingDB Entry DOI: 10.7270/Q2JQ1186
More data for this
Ligand-Target Pair
Class B carbapenemase VIM-13


(Pseudomonas aeruginosa)
BDBM26116
PNG
(CHEMBL284104 | Dipicolinate | pyridine carboxylate...)
Show SMILES OC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Hospital Son Dureta

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa VIM-13 beta-lactamase after 10 mins


Antimicrob Agents Chemother 52: 3589-96 (2008)


Article DOI: 10.1128/AAC.00465-08
BindingDB Entry DOI: 10.7270/Q2JQ1186
More data for this
Ligand-Target Pair
Class B carbapenemase VIM-13


(Pseudomonas aeruginosa)
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US10669227, C...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/a 6.93E+4n/an/an/an/an/an/a



Hospital Son Dureta

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa VIM-13 beta-lactamase after 10 mins


Antimicrob Agents Chemother 52: 3589-96 (2008)


Article DOI: 10.1128/AAC.00465-08
BindingDB Entry DOI: 10.7270/Q2JQ1186
More data for this
Ligand-Target Pair
VIM-1


(Pseudomonas aeruginosa)
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US10669227, C...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/a 7.30E+4n/an/an/an/an/an/a



Hospital Son Dureta

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 mins


Antimicrob Agents Chemother 52: 3589-96 (2008)


Article DOI: 10.1128/AAC.00465-08
BindingDB Entry DOI: 10.7270/Q2JQ1186
More data for this
Ligand-Target Pair
ADC-14 protein


(Acinetobacter genomosp. 3)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 2.36E+5n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 65 ADC-14


Antimicrob Agents Chemother 53: 1177-84 (2009)


Article DOI: 10.1128/AAC.00485-08
BindingDB Entry DOI: 10.7270/Q2CN7454
More data for this
Ligand-Target Pair
Class B carbapenemase VIM-13


(Pseudomonas aeruginosa)
BDBM50330325
PNG
(2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...)
Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
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n/an/a 2.53E+5n/an/an/an/an/an/a



Hospital Son Dureta

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa VIM-13 beta-lactamase after 10 mins


Antimicrob Agents Chemother 52: 3589-96 (2008)


Article DOI: 10.1128/AAC.00465-08
BindingDB Entry DOI: 10.7270/Q2JQ1186
More data for this
Ligand-Target Pair
ADC-16 protein


(Acinetobacter genomosp. 3)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 1.46E+6n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 103 ADC-16


Antimicrob Agents Chemother 53: 1177-84 (2009)


Article DOI: 10.1128/AAC.00485-08
BindingDB Entry DOI: 10.7270/Q2CN7454
More data for this
Ligand-Target Pair
ADC-18 protein


(Acinetobacter genomosp. 3)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 1.93E+6n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 195 ADC-18


Antimicrob Agents Chemother 53: 1177-84 (2009)


Article DOI: 10.1128/AAC.00485-08
BindingDB Entry DOI: 10.7270/Q2CN7454
More data for this
Ligand-Target Pair