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BDBM50482777 CEFOTAXIME::CHEBI:204928::Cefotaxime

SMILES: [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O

InChI Key: InChIKey=GPRBEKHLDVQUJE-QSWIMTSFSA-N

Data: 19 IC50

PDB links: 7 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50482777   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 2.19E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to methicillin-, vancomycin-resistant, beta-lactamase-positive Staphylococcus aureus 510 PBP2a by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a>2.00E+6n/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Life Sci 70: 1861-74 (2002)


Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 219n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to against penicillin-susceptible Streptococcus pneumoniae 1076 PBP1A by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to penicillin-resistant Streptococcus pneumoniae 24 PBP1A by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 3.51E+4n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to penicillin-resistant Streptococcus pneumoniae 24 PBP2B by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to penicillin-resistant Streptococcus pneumoniae 3413 PBP2B by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a>2.81E+5n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to methicillin-, linezolid-resistant, vancomycin-intermediate, beta-lactamase-positive Staphylococcus aureus 2149A PBP2a by competit...


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 548n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to against methicillin-, daptomycin-resistant, vancomycin-intermediate, beta-lactamase-positive Staphylococcus aureus 25 PBP2a by co...


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 8.78E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to penicillin-resistant Streptococcus pneumoniae 3413 PBP2X by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a>7.02E+4n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to against penicillin-susceptible Streptococcus pneumoniae 1076 PBP2B by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to methicillin-resistant, heteroresistant vancomycin-intermediate, beta-lactamase-negative Staphylococcus aureus 873 PBP2a by compet...


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 8.78E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to penicillin-resistant Streptococcus pneumoniae 2527 PBP2B by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 548n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to penicillin-resistant Streptococcus pneumoniae 2527 PBP1A by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 2.19E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to penicillin-resistant Streptococcus pneumoniae 24 PBP2X by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to penicillin-resistant Streptococcus pneumoniae 2527 PBP2X by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 548n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to penicillin-resistant Streptococcus pneumoniae 3413 PBP1A by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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n/an/a 548n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to against penicillin-susceptible Streptococcus pneumoniae 1076 PBP2X by competitive binding assay


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Rattus norvegicus)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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UniProtKB/SwissProt

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KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 8.00E+5n/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Life Sci 70: 1861-74 (2002)


Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50482777
PNG
(CEFOTAXIME | CHEBI:204928 | Cefotaxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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UniChem
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n/an/a 4.39E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to methicillin-resistant, vancomycin-intermediate, beta-lactamase-positive Staphylococcus aureus 1287 PBP2a by competitive binding a...


Antimicrob Agents Chemother 54: 1670-7 (2010)


Article DOI: 10.1128/aac.00019-10
BindingDB Entry DOI: 10.7270/Q2B56NK6
More data for this
Ligand-Target Pair