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Compile Data Set for Download or QSAR

Found 50 hits of ic50 data for polymerid = 50002796,50002803,50002833   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 604 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 503 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 604 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053179
PNG
(CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 503 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053179
PNG
(CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 604 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053179
PNG
(CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 503 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 604 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 503 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
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n/an/a 1.43E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
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n/an/a 1.43E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
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n/an/a 1.43E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053179
PNG
(CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1
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n/an/a 1.45E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053179
PNG
(CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1
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n/an/a 1.45E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
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n/an/a 2.80E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 604 (Cephalosporin resistant mutants of Penicillin-binding protein 2) from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
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n/an/a 2.86E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
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n/an/a 2.86E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053179
PNG
(CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1
PDB

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n/an/a>3.00E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
PDB

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F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053179
PNG
(CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1
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F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
PDB

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n/an/a>3.40E+5n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
PDB

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F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218769
PNG
(CHEMBL67628)
Show SMILES OC(=O)C(F)(F)F.CO\N=C(\C(=O)NC1CS(=O)(=O)N(CC(O)=O)C1=O)c1csc(N)n1
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n/an/a>4.94E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218762
PNG
(CHEMBL306206)
Show SMILES CCCCNOS(=O)(=O)N1C(=O)[C@H](CS1(=O)=O)NC(=O)COc1ccc(Cl)cc1
PDB
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n/an/a>5.32E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218764
PNG
(CHEMBL67669)
Show SMILES CC(C)[C@@H](N1[S+]([O-])C[C@H](NC(=O)COc2ccccc2)C1=O)C(=O)OCc1ccccc1
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Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218771
PNG
(CHEMBL63749)
Show SMILES Clc1ccc(OC(=O)NC2CS(=O)(=O)N(CC(=O)OCc3ccccc3)C2=O)cc1
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Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218772
PNG
(CHEMBL66853)
Show SMILES CC(C)C(N1C(=O)C(CS1(=O)=O)NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
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Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218763
PNG
(CHEMBL67946)
Show SMILES CC(N1C(=O)C(CS1(=O)=O)NC(=O)Oc1ccc(Cl)cc1)C(=O)OC(C)(C)C
PDB
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n/an/a>5.77E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218767
PNG
(CHEMBL67954)
Show SMILES CC(C)[C@H](N1C(=O)C(CS1(=O)=O)NC(=O)COc1ccccc1)C(O)=O
PDB
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n/an/a>6.50E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218765
PNG
(CHEMBL66962)
Show SMILES CC(N1C(=O)C(CS1(=O)=O)NC(=O)Oc1ccc(Cl)cc1)C(O)=O
PDB
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n/an/a>6.63E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218773
PNG
(CHEMBL432719)
Show SMILES CC(C)[C@@H](N1[S+]([O-])C[C@H](NC(=O)COc2ccccc2)C1=O)C(O)=O
PDB
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Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218761
PNG
(CHEMBL304925)
Show SMILES CC(C)[C@H](N1[S+]([O-])C[C@H](NC(=O)COc2ccccc2)C1=O)C(O)=O
PDB
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Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218760
PNG
(CHEMBL304750)
Show SMILES CCCCNOS(=O)(=O)N1C[C@H](NC(=O)Cc2ccccc2)C1=O
PDB
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Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218768
PNG
(CHEMBL68222)
Show SMILES OC(=O)CN1C(=O)C(CS1(=O)=O)NC(=O)COc1ccccc1
PDB
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Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218766
PNG
(CHEMBL67473)
Show SMILES CC(C)[C@@H](N1C[C@H](NC(=O)COc2ccccc2)C1=O)C(O)=O
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>7.80E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218770
PNG
(CHEMBL294507)
Show SMILES OC(=O)CN1C[C@H](NC(=O)COc2ccccc2)C1=O
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a>8.98E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair