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10 similar compounds to monomer 50140672

Wt: 329.4
BDBM92461
Wt: 329.4
BDBM92462
Wt: 230.2
BDBM50076675
Wt: 230.2
BDBM50076676
Wt: 233.3
BDBM50140665
Wt: 247.3
BDBM50140667
Wt: 233.3
BDBM50140670
Wt: 231.2
BDBM50140671
Wt: 247.3
BDBM50140673
Wt: 216.2
BDBM50420257
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 92461,92462,50076675,50076676,50140665,50140667,50140670,50140671,50140673,50420257   
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
Beta-lactamase


(Acinetobacter baumannii)
BDBM92461
PNG
(Beta-lactam compound, 4)
Show SMILES CCCCCCC[C@@H](O)[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C16H27NO4S/c1-4-5-6-7-8-9-10(18)11-13(19)17-12(15(20)21)16(2,3)22-14(11)17/h10-12,14,18H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,14-/m1/s1
PDB
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KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem

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Article
PubMed
4.20E+4n/an/an/an/an/an/an/an/a



York University



Assay Description
Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.


J Biol Chem 286: 37292-303 (2011)


Article DOI: 10.1074/jbc.M111.280115
BindingDB Entry DOI: 10.7270/Q2QV3K38
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM50140671
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-th...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
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UniProtKB/TrEMBL

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Article
PubMed
8.30E+4n/an/an/an/an/an/an/an/a



York University



Assay Description
Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.


J Biol Chem 286: 37292-303 (2011)


Article DOI: 10.1074/jbc.M111.280115
BindingDB Entry DOI: 10.7270/Q2QV3K38
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM92462
PNG
(Beta-lactam compound, 3)
Show SMILES CCCCCCC[C@@H](O)[C@@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C16H27NO4S/c1-4-5-6-7-8-9-10(18)11-13(19)17-12(15(20)21)16(2,3)22-14(11)17/h10-12,14,18H,4-9H2,1-3H3,(H,20,21)/t10-,11+,12+,14-/m1/s1
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PubMed
4.04E+5n/an/an/an/an/an/an/an/a



York University



Assay Description
Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.


J Biol Chem 286: 37292-303 (2011)


Article DOI: 10.1074/jbc.M111.280115
BindingDB Entry DOI: 10.7270/Q2QV3K38
More data for this
Ligand-Target Pair
Oligopeptide transporter, kidney isoform


(Rattus norvegicus)
BDBM50420257
PNG
(CHEMBL1236749)
Show SMILES CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
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Article
PubMed
1.90E+7n/an/an/an/an/an/an/an/a



Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cells


Eur J Pharm Biopharm 59: 17-24 (2004)


Article DOI: 10.1016/j.ejpb.2004.07.008
BindingDB Entry DOI: 10.7270/Q2TT4S7H
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50420257
PNG
(CHEMBL1236749)
Show SMILES CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
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>3.00E+7n/an/an/an/an/an/an/an/a



Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cells


Eur J Pharm Biopharm 59: 17-24 (2004)


Article DOI: 10.1016/j.ejpb.2004.07.008
BindingDB Entry DOI: 10.7270/Q2TT4S7H
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50076675
PNG
(CHEMBL265722 | Sodium; (2S,5R,6R)-6-hydroxymethyl-...)
Show SMILES CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/p-1/t4-,5+,7-/m1/s1
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n/an/a 6.59E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against AmpC (class C) beta-lactamase


Bioorg Med Chem Lett 9: 991-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00106-7
BindingDB Entry DOI: 10.7270/Q2TB163Q
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50076676
PNG
(CHEMBL177463 | Sodium; (2S,5R,6S)-6-hydroxymethyl-...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/p-1/t4-,5-,7+/m0/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against TEM-1 (class A) beta-lactamase


Bioorg Med Chem Lett 9: 991-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00106-7
BindingDB Entry DOI: 10.7270/Q2TB163Q
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50140665
PNG
((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)
Show SMILES CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1
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n/an/a 4.14E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50140671
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-th...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50140667
PNG
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50140673
PNG
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)
Show SMILES CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1
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n/an/a 3.21E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50140670
PNG
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)
Show SMILES CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1
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n/an/a 3.69E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50140670
PNG
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)
Show SMILES CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50140667
PNG
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1
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n/an/a 3.75E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50140673
PNG
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)
Show SMILES CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50140665
PNG
((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)
Show SMILES CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1
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n/an/a 4.23E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50140671
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-th...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
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n/an/a 9.62E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140665
PNG
((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)
Show SMILES CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50140665
PNG
((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)
Show SMILES CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140667
PNG
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50140670
PNG
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)
Show SMILES CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1
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n/an/a 9.88E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50140671
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-th...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
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n/an/a 2.75E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140671
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-th...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50140673
PNG
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)
Show SMILES CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1
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n/an/a 6.01E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50140667
PNG
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1
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n/an/a 6.48E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140670
PNG
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...)
Show SMILES CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1
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n/an/a 1.72E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140673
PNG
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...)
Show SMILES CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme


Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50076675
PNG
(CHEMBL265722 | Sodium; (2S,5R,6R)-6-hydroxymethyl-...)
Show SMILES CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/p-1/t4-,5+,7-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against TEM-1 (class A) beta-lactamase


Bioorg Med Chem Lett 9: 991-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00106-7
BindingDB Entry DOI: 10.7270/Q2TB163Q
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50076676
PNG
(CHEMBL177463 | Sodium; (2S,5R,6S)-6-hydroxymethyl-...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/p-1/t4-,5-,7+/m0/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against AmpC (class C) beta-lactamase


Bioorg Med Chem Lett 9: 991-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00106-7
BindingDB Entry DOI: 10.7270/Q2TB163Q
More data for this
Ligand-Target Pair