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BDBM50422689 640/359::CEFUROXIME

SMILES: CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1

InChI Key: InChIKey=JFPVXVDWJQMJEE-IZRZKJBUSA-N

Data: 6 KI  29 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50422689   
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
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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1.04E+4n/a 1.88E+4n/an/an/an/a8.0n/a



Ondokuz Mayis University



Assay Description
Enzymatic activity was measured by Beutler's method with a Shimadzu Spectrophotometer UV-(1208), at 25C. The assay system contained 100 mM Tris-...


J Enzyme Inhib Med Chem 28: 824-9 (2013)


Article DOI: 10.3109/14756366.2012.688042
BindingDB Entry DOI: 10.7270/Q21J98P4
More data for this
Ligand-Target Pair
Glutathione S-transferase (GST)


(Homo sapiens (Human))
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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3.24E+4n/a 5.64E+4n/an/an/an/a6.5n/a



Ondokuz Mayis University



Assay Description
Enzymatic activity was determined spectrophotometrically by measuring the conjugation of CDNB with GSH. The 1 ml assay mixture contained 0.5 mM CDNB,...


J Enzyme Inhib Med Chem 28: 824-9 (2013)


Article DOI: 10.3109/14756366.2012.688042
BindingDB Entry DOI: 10.7270/Q21J98P4
More data for this
Ligand-Target Pair
Glutathione peroxidase 1 (GPx)


(Homo sapiens (Human))
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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3.27E+4n/a 4.43E+4n/an/an/an/a7.0n/a



Ondokuz Mayis University



Assay Description
Glutathione peroxidase was assayed in a l-ml system containing 0.1 M potassium phosphate buffer, pH 7.0, 0.2 mM NADPH, 1 i.u. glutathione reductase, ...


J Enzyme Inhib Med Chem 28: 824-9 (2013)


Article DOI: 10.3109/14756366.2012.688042
BindingDB Entry DOI: 10.7270/Q21J98P4
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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1.26E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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1.26E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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2.60E+7n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 23.6n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 2.36n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 18.9n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP1A


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 2.82E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2B


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 47.1n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 4.71n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 402n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2B


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 89.5n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP2B


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 386n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 9.43n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 14.1n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 3.53E+4n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2B


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 0.0940n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 14.1n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 9.43n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 1.18n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2B


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 14.1n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2B


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 54.2n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2B


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 1.11E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2B


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 7.07n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 9.43n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 6.12E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2B


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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n/an/a 4.71n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP1A


Antimicrob Agents Chemother 53: 2176-80 (2009)


BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair