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BDBM50103601 CEFTRIAXONE::CHEBI:29007::Ceftriaxone

SMILES: [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H]

InChI Key: InChIKey=VAAUVRVFOQPIGI-SPQHTLEESA-N

Data: 38 IC50

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 39 hits for monomerid = 50103601   
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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/an/a 530n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 2.74E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of DAAO (unknown origin)


J Med Chem 58: 7258-72 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2XZQ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 1.54E+5n/an/an/an/an/an/a



ChanTest Corporation

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits


Sci Rep 3: (2013)


Article DOI: 10.1038/srep02100
BindingDB Entry DOI: 10.7270/Q2RB77K2
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>1.44E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Bocillin FL binding to PBP2b in Streptococcus pneumoniae isolate 8819 harboring E333G, I361L, E369D, S412P, N422Y, T426K, Q427L, Q438E,...


Antimicrob Agents Chemother 54: 4510-2 (2010)


Article DOI: 10.1128/aac.00590-10
BindingDB Entry DOI: 10.7270/Q29W0J91
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>1.44E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Bocillin FL binding to PBP2b in laboratory-derived Streptococcus pneumoniae isolate R6


Antimicrob Agents Chemother 54: 4510-2 (2010)


Article DOI: 10.1128/aac.00590-10
BindingDB Entry DOI: 10.7270/Q29W0J91
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>1.44E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae isolate 8882 Bocillin FL binding to PBP2b 443SSNA mutant


Antimicrob Agents Chemother 54: 4510-2 (2010)


Article DOI: 10.1128/aac.00590-10
BindingDB Entry DOI: 10.7270/Q29W0J91
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>1.44E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Bocillin FL binding to PBP2b PBP2b 443SSNA mutant in Streptococcus pneumoniae isolate 8009 harboring E333G, N470K, E476G, T489S, E506D,...


Antimicrob Agents Chemother 54: 4510-2 (2010)


Article DOI: 10.1128/aac.00590-10
BindingDB Entry DOI: 10.7270/Q29W0J91
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>1.44E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Bocillin FL binding to Streptococcus pneumoniae isolate 8865 PBP2b


Antimicrob Agents Chemother 54: 4510-2 (2010)


Article DOI: 10.1128/aac.00590-10
BindingDB Entry DOI: 10.7270/Q29W0J91
More data for this
Ligand-Target Pair
Peptidoglycan D,D-transpeptidase MrdA


(Escherichia coli)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 2


Antimicrob Agents Chemother 51: 2621-4 (2007)


Article DOI: 10.1128/aac.00029-07
BindingDB Entry DOI: 10.7270/Q2VH5RN2
More data for this
Ligand-Target Pair
Cell division protein FtsI (Peptidoglycan synthetase)


(Staphylococcus aureus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 901n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 1


Antimicrob Agents Chemother 51: 2621-4 (2007)


Article DOI: 10.1128/aac.00029-07
BindingDB Entry DOI: 10.7270/Q2VH5RN2
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 2


Antimicrob Agents Chemother 51: 2621-4 (2007)


Article DOI: 10.1128/aac.00029-07
BindingDB Entry DOI: 10.7270/Q2VH5RN2
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>9.01E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bocillin FL binding to methicillin-resistant Staphylococcus aureus OC 3726 penicillin-binding protein 2a


Antimicrob Agents Chemother 51: 2621-4 (2007)


Article DOI: 10.1128/aac.00029-07
BindingDB Entry DOI: 10.7270/Q2VH5RN2
More data for this
Ligand-Target Pair
Penicillin-binding protein 3


(Staphylococcus aureus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 3


Antimicrob Agents Chemother 51: 2621-4 (2007)


Article DOI: 10.1128/aac.00029-07
BindingDB Entry DOI: 10.7270/Q2VH5RN2
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 4


Antimicrob Agents Chemother 51: 2621-4 (2007)


Article DOI: 10.1128/aac.00029-07
BindingDB Entry DOI: 10.7270/Q2VH5RN2
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>2.30E+5n/an/an/an/an/an/a



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 2'


(Staphylococcus aureus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>2.30E+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)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 3.60E+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
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 450n/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 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 180n/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...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



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 2x


(Streptococcus pneumoniae)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 7.21E+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...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 2.88E+4n/an/an/an/an/an/a



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 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 450n/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)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 1.80E+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)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



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 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>5.77E+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)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 1.80E+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
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 450n/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)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 180n/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
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 2.88E+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...)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 7.21E+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
Solute carrier family 22 member 8


(Rattus norvegicus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/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 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
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 8.40E+5n/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
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50103601
PNG
(CEFTRIAXONE | CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair