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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein'   
Target
(Institution)
LigandTarget
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
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012177
PNG
(CHEMBL3265226)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](N2C(=O)c3cc(O)c(O)cc3C2=O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C25H22N6O14S/c1-24(2,21(39)40)45-29-15(11-7-46-23(26)28-11)16(34)27-10-6-43-31(19(10)37)25(22(41)42)5-12(20(38)44-25)30-17(35)8-3-13(32)14(33)4-9(8)18(30)36/h3-4,7,10,12,32-33H,5-6H2,1-2H3,(H2,26,28)(H,27,34)(H,39,40)(H,41,42)/b29-15-/t10-,12-,25?/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012181
PNG
(CHEMBL3265225)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](NC(=O)c2cc(=O)c(O)cn2O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C23H23N7O14S/c1-22(2,19(37)38)44-28-14(10-7-45-21(24)27-10)16(34)26-9-6-42-30(17(9)35)23(20(39)40)4-8(18(36)43-23)25-15(33)11-3-12(31)13(32)5-29(11)41/h3,5,7-9,32,41H,4,6H2,1-2H3,(H2,24,27)(H,25,33)(H,26,34)(H,37,38)(H,39,40)/b28-14-/t8-,9-,23?/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012180
PNG
(CHEMBL3265224)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@@H](NC(=O)c2cc(=O)c(O)cn2O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C23H23N7O14S/c1-22(2,19(37)38)44-28-14(10-7-45-21(24)27-10)16(34)26-9-6-42-30(17(9)35)23(20(39)40)4-8(18(36)43-23)25-15(33)11-3-12(31)13(32)5-29(11)41/h3,5,7-9,32,41H,4,6H2,1-2H3,(H2,24,27)(H,25,33)(H,26,34)(H,37,38)(H,39,40)/b28-14-/t8-,9+,23?/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012179
PNG
(CHEMBL3265221)
Show SMILES Nc1nc(cs1)C(=N\OCc1cc(=O)c(O)cn1O)\C(=O)N[C@H]1CON(C1=O)C1(CCC(=O)O1)C(O)=O
Show InChI InChI=1S/C19H18N6O11S/c20-18-22-10(7-37-18)14(23-34-5-8-3-11(26)12(27)4-24(8)33)15(29)21-9-6-35-25(16(9)30)19(17(31)32)2-1-13(28)36-19/h3-4,7,9,27,33H,1-2,5-6H2,(H2,20,22)(H,21,29)(H,31,32)/b23-14-/t9-,19?/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012178
PNG
(CHEMBL3265220)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(CCC(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C17H19N5O10S/c1-16(2,13(26)27)32-21-10(8-6-33-15(18)20-8)11(24)19-7-5-30-22(12(7)25)17(14(28)29)4-3-9(23)31-17/h6-7H,3-5H2,1-2H3,(H2,18,20)(H,19,24)(H,26,27)(H,28,29)/b21-10-/t7-,17?/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012182
PNG
(CHEMBL3265223)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](NC(=O)OCc2ccccc2)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C25H26N6O12S/c1-24(2,20(35)36)43-30-16(15-11-44-22(26)28-15)17(32)27-14-10-41-31(18(14)33)25(21(37)38)8-13(19(34)42-25)29-23(39)40-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,26,28)(H,27,32)(H,29,39)(H,35,36)(H,37,38)/b30-16-/t13-,14-,25?/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012183
PNG
(CHEMBL3265222)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C25H26N6O12S/c1-24(2,20(35)36)43-30-16(15-11-44-22(26)28-15)17(32)27-14-10-41-31(18(14)33)25(21(37)38)8-13(19(34)42-25)29-23(39)40-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,26,28)(H,27,32)(H,29,39)(H,35,36)(H,37,38)/b30-16-/t13-,14+,25?/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50378857
PNG
(CEFTOBIPROLE | Zeftera | Zevtera)
Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus ATCC 433000 PBP2a by western blotting at pH 7.4 in presence of 100 uM Bocillin FL


Citation and Details
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50378857
PNG
(CEFTOBIPROLE | Zeftera | Zevtera)
Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus COL PBP2a by competitive assay


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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n/an/a 3.34E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50378857
PNG
(CEFTOBIPROLE | Zeftera | Zevtera)
Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus ATCC 433000 PBP2a by western blotting at pH 5.5 in presence of 100 uM Bocillin FL


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50324696
PNG
(CHEMBL1221990 | Phenoxyacetyl lactivicin)
Show SMILES OC(=O)[C@@]1(CCC(=O)O1)N1OC[C@H](NC(=O)COc2ccccc2)C1=O
Show InChI InChI=1S/C16H16N2O8/c19-12(9-24-10-4-2-1-3-5-10)17-11-8-25-18(14(11)21)16(15(22)23)7-6-13(20)26-16/h1-5,11H,6-9H2,(H,17,19)(H,22,23)/t11-,16-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Universit£ Joseph Fourier

Curated by ChEMBL


Assay Description
Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2x after 60 mins by SDS-PAGE


Citation and Details
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


Citation and Details
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


Citation and Details
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).


Citation and Details
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.


Citation and Details
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


Citation and Details
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).


Citation and Details
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).


Citation and Details
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).


Citation and Details
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).


Citation and Details
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).


Citation and Details
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


Citation and Details
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).


Citation and Details
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).


Citation and Details
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


Citation and Details
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.


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50300689
PNG
(6-chloro-2-(3-(4-chloro-2-methylphenyl)ureido)-3-(...)
Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1c(Oc2ccc(Cl)cc2)ccc(Cl)c1S(O)(=O)=O
Show InChI InChI=1S/C20H15Cl3N2O5S/c1-11-10-13(22)4-8-16(11)24-20(26)25-18-17(30-14-5-2-12(21)3-6-14)9-7-15(23)19(18)31(27,28)29/h2-10H,1H3,(H2,24,25,26)(H,27,28,29)
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n/an/a 7.10E+4n/an/an/an/an/an/a



Institut de Biologie Structurale Jean-Pierre Ebel (CEA/CNRS/UJF)

Curated by ChEMBL


Assay Description
Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate (R)-[2-(benzoylamino)propi...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50300688
PNG
(6-chloro-3-(3,4-dichlorophenoxy)-2-(3-(3-(trifluor...)
Show SMILES OS(=O)(=O)c1c(Cl)ccc(Oc2ccc(Cl)c(Cl)c2)c1NC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H12Cl3F3N2O5S/c21-13-5-4-12(9-15(13)23)33-16-7-6-14(22)18(34(30,31)32)17(16)28-19(29)27-11-3-1-2-10(8-11)20(24,25)26/h1-9H,(H2,27,28,29)(H,30,31,32)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Institut de Biologie Structurale Jean-Pierre Ebel (CEA/CNRS/UJF)

Curated by ChEMBL


Assay Description
Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate (R)-[2-(benzoylamino)propi...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 2X


(Streptococcus pneumoniae R6)
BDBM50385268
PNG
(CHEMBL2035292)
Show SMILES OB(O)CNC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C8H9BN2O5/c12-8(10-5-9(13)14)6-3-1-2-4-7(6)11(15)16/h1-4,13-14H,5H2,(H,10,12)
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n/an/a 1.38E+5n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...


Citation and Details
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.


Citation and Details
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).


Citation and Details
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).


Citation and Details
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.


Citation and Details
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).


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50324697
PNG
(CHEMBL1221989 | Lactivicin)
Show SMILES CC(=O)N[C@H]1CON(C1=O)[C@]1(CCC(=O)O1)C(O)=O
Show InChI InChI=1S/C10H12N2O7/c1-5(13)11-6-4-18-12(8(6)15)10(9(16)17)3-2-7(14)19-10/h6H,2-4H2,1H3,(H,11,13)(H,16,17)/t6-,10-/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Universit£ Joseph Fourier

Curated by ChEMBL


Assay Description
Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2x after 120 mins by SDS-PAGE


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50300687
PNG
(2-(5-((4-chlorophenylthio)methyl)-1,3,4-thiadiazol...)
Show SMILES Cc1ccc(Nc2nnc(CSc3ccc(Cl)cc3)s2)c(c1)S(O)(=O)=O
Show InChI InChI=1S/C16H14ClN3O3S3/c1-10-2-7-13(14(8-10)26(21,22)23)18-16-20-19-15(25-16)9-24-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,20)(H,21,22,23)
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n/an/a 2.19E+5n/an/an/an/an/an/a



Institut de Biologie Structurale Jean-Pierre Ebel (CEA/CNRS/UJF)

Curated by ChEMBL


Assay Description
Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate (R)-[2-(benzoylamino)propi...


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More data for this
Ligand-Target Pair
Penicillin-binding protein 2X


(Streptococcus pneumoniae R6)
BDBM50300688
PNG
(6-chloro-3-(3,4-dichlorophenoxy)-2-(3-(3-(trifluor...)
Show SMILES OS(=O)(=O)c1c(Cl)ccc(Oc2ccc(Cl)c(Cl)c2)c1NC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H12Cl3F3N2O5S/c21-13-5-4-12(9-15(13)23)33-16-7-6-14(22)18(34(30,31)32)17(16)28-19(29)27-11-3-1-2-10(8-11)20(24,25)26/h1-9H,(H2,27,28,29)(H,30,31,32)
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n/an/a 2.55E+5n/an/an/an/an/an/a



Institut de Biologie Structurale Jean-Pierre Ebel (CEA/CNRS/UJF)

Curated by ChEMBL


Assay Description
Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2X preincubated for 1 hr before addition of substrate (R)-[2-(benzoylamino)propiony...


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More data for this
Ligand-Target Pair
Penicillin-binding protein 2X


(Streptococcus pneumoniae R6)
BDBM50385263
PNG
(CHEMBL2035289)
Show SMILES OB(O)CNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)
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n/an/a 2.62E+5n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 2X


(Streptococcus pneumoniae R6)
BDBM50385267
PNG
(CHEMBL2035284)
Show SMILES COc1cccc(OC)c1C(=O)NCB(O)O
Show InChI InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)
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n/an/a 2.78E+5n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...


Citation and Details
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


Citation and Details
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).


Citation and Details
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).


Citation and Details
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>3.00E+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.


Citation and Details
More data for this
Ligand-Target Pair
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