Found 53 hits for monomerid = 50021954 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Beta-lactamase (TEM-1)
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-CERCOA
Curated by ChEMBL
| Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase |
J Med Chem 31: 370-4 (1988)
Article DOI: 10.1021/jm00397a018 BindingDB Entry DOI: 10.7270/Q21R6PHS |
More data for this Ligand-Target Pair | |
SHV-1 beta-lactamase
(Klebsiella pneumoniae (Enterobacteria)) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| PDB Article PubMed
| 1.50E+3 | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Case Western Reserve University
| Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t... |
Biochemistry 54: 734-43 (2015)
Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Class A carbapenemase KPC-2
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
KEGG
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| 1.67E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by ChEMBL
| Assay Description Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay |
Antimicrob Agents Chemother 54: 2867-77 (2010)
Article DOI: 10.1128/AAC.00197-10 BindingDB Entry DOI: 10.7270/Q2QJ7HJP |
More data for this Ligand-Target Pair | |
Beta-lactamase 1
(Bacillus cereus) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Beta-lactamase of Bacillus cereus (class A enzyme) without preincubation |
Bioorg Med Chem Lett 5: 2037-2040 (1995)
Article DOI: 10.1016/0960-894X(95)00348-W BindingDB Entry DOI: 10.7270/Q2X63MXR |
More data for this Ligand-Target Pair | |
Beta-lactamase (TEM-1)
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated for beta-lactamase inhibition activity of Escherichia coli after 15 min of preincubation with the enzyme at 37 degree C |
Bioorg Med Chem Lett 7: 2217-2222 (1997)
Article DOI: 10.1016/S0960-894X(97)00401-0 BindingDB Entry DOI: 10.7270/Q2M32VR6 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated for beta-lactamase inhibition activity of Escherichia cloacae after 15 min of preincubation with the enzyme at 37 degree C |
Bioorg Med Chem Lett 7: 2217-2222 (1997)
Article DOI: 10.1016/S0960-894X(97)00401-0 BindingDB Entry DOI: 10.7270/Q2M32VR6 |
More data for this Ligand-Target Pair | |
Beta-lactamase AmpC
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 6.59E+4 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 6.59E+4 | n/a | n/a | n/a | n/a | n/a | n/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: 997-1002 (1999)
Article DOI: 10.1016/s0960-894x(99)00107-9 BindingDB Entry DOI: 10.7270/Q2PK0FBJ |
More data for this Ligand-Target Pair | |
Beta-lactamase (TEM-1)
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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: 997-1002 (1999)
Article DOI: 10.1016/s0960-894x(99)00107-9 BindingDB Entry DOI: 10.7270/Q2PK0FBJ |
More data for this Ligand-Target Pair | |
Class D β-lactamase (OXA-1)
(Escherichia coli (Enterobacteria)) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from E. coli OXA1 using ampicillin (40 uM) as a substrate |
J Med Chem 30: 1469-74 (1987)
Article DOI: 10.1021/jm00391a032 BindingDB Entry DOI: 10.7270/Q28G8JQ0 |
More data for this Ligand-Target Pair | |
Beta-lactamase (TEM-1)
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 3.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from E. coli TEM2 using penicillin G (40 uM) as a substrate |
J Med Chem 30: 1469-74 (1987)
Article DOI: 10.1021/jm00391a032 BindingDB Entry DOI: 10.7270/Q28G8JQ0 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
KEGG
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| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate |
J Med Chem 30: 1469-74 (1987)
Article DOI: 10.1021/jm00391a032 BindingDB Entry DOI: 10.7270/Q28G8JQ0 |
More data for this Ligand-Target Pair | |
Beta-lactamase AmpC
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description In vitro inhibitory concentration against AmpC enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
Article DOI: 10.1016/s0960-894x(01)00148-2 BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this Ligand-Target Pair | |
Beta-lactamase (TEM-1)
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description In vitro inhibitory concentration against TEM-1 enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
Article DOI: 10.1016/s0960-894x(01)00148-2 BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this Ligand-Target Pair | |
Beta-lactamase type II
(Bacteroides fragilis) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description In vitro inhibitory concentration against CCRA enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
Article DOI: 10.1016/s0960-894x(01)00148-2 BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Beta-lactamase TEM-1 of class A enzyme |
J Med Chem 46: 2569-71 (2003)
Article DOI: 10.1021/jm034056q BindingDB Entry DOI: 10.7270/Q2W66K59 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Beta-lactamase AmpC of class C enzyme |
J Med Chem 46: 2569-71 (2003)
Article DOI: 10.1021/jm034056q BindingDB Entry DOI: 10.7270/Q2W66K59 |
More data for this Ligand-Target Pair | |
Carbapenem-hydrolizing beta-lactamase SFC-1
(Serratia fonticola) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Aveiro
Curated by ChEMBL
| Assay Description Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE |
Antimicrob Agents Chemother 51: 4512-4 (2007)
Article DOI: 10.1128/AAC.00491-07 BindingDB Entry DOI: 10.7270/Q2PK0FX5 |
More data for this Ligand-Target Pair | |
Beta-lactamase ACC-4
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli beta-lactamase ACC4 |
Antimicrob Agents Chemother 51: 3763-7 (2007)
Article DOI: 10.1128/AAC.00389-07 BindingDB Entry DOI: 10.7270/Q2222THB |
More data for this Ligand-Target Pair | |
Class D beta-lactamase
(Brachyspira pilosicoli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | KEGG
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description Inhibition of Brachyspira pilosicoli beta-lactamase OXA-63 expressed in Escherichia coli BL21 (DE3) assessed as reduction in nitrocefin hydrolysis by... |
Antimicrob Agents Chemother 52: 1264-8 (2008)
Article DOI: 10.1128/AAC.00684-07 BindingDB Entry DOI: 10.7270/Q26W9B91 |
More data for this Ligand-Target Pair | |
Beta-lactamase GES-13
(Pseudomonas aeruginosa) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Hellenic Pasteur Institute
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase |
Antimicrob Agents Chemother 54: 1331-3 (2010)
Article DOI: 10.1128/AAC.01561-09 BindingDB Entry DOI: 10.7270/Q29C6XN5 |
More data for this Ligand-Target Pair | |
ADC-16 protein
(Acinetobacter genomosp. 3) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 7.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Complejo Hospitalario Universitario Juan Canalejo-INIBIC
Curated by ChEMBL
| Assay Description Inhibition of Acinetobacter genomosp. 3 isolate 103 ADC-16 |
Antimicrob Agents Chemother 53: 1177-84 (2009)
Article DOI: 10.1128/AAC.00485-08 BindingDB Entry DOI: 10.7270/Q2CN7454 |
More data for this Ligand-Target Pair | |
ADC-14 protein
(Acinetobacter genomosp. 3) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Complejo Hospitalario Universitario Juan Canalejo-INIBIC
Curated by ChEMBL
| Assay Description Inhibition of Acinetobacter genomosp. 3 isolate 65 ADC-14 |
Antimicrob Agents Chemother 53: 1177-84 (2009)
Article DOI: 10.1128/AAC.00485-08 BindingDB Entry DOI: 10.7270/Q2CN7454 |
More data for this Ligand-Target Pair | |
ADC-18 protein
(Acinetobacter genomosp. 3) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
KEGG
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Complejo Hospitalario Universitario Juan Canalejo-INIBIC
Curated by ChEMBL
| Assay Description Inhibition of Acinetobacter genomosp. 3 isolate 195 ADC-18 |
Antimicrob Agents Chemother 53: 1177-84 (2009)
Article DOI: 10.1128/AAC.00485-08 BindingDB Entry DOI: 10.7270/Q2CN7454 |
More data for this Ligand-Target Pair | |
Beta-lactamase SHV-11
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bordeaux
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli JM109 beta-lactamase SHV-11 |
Antimicrob Agents Chemother 52: 3792-4 (2008)
Article DOI: 10.1128/AAC.00387-08 BindingDB Entry DOI: 10.7270/Q2DZ08JG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Extended-spectrum beta-lactamase PER-6
(Aeromonas allosaccharophila) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bicetre Hospital
Curated by ChEMBL
| Assay Description Inhibition of Aeromonas allosaccharophila AL-1 beta-lactamase PER6 |
Antimicrob Agents Chemother 54: 1619-22 (2010)
Article DOI: 10.1128/AAC.01585-09 BindingDB Entry DOI: 10.7270/Q2H995HK |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| n/a | n/a | 2.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novexel SA
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta-lactamase P99 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation |
Antimicrob Agents Chemother 54: 5132-8 (2010)
Article DOI: 10.1128/AAC.00568-10 BindingDB Entry DOI: 10.7270/Q2CJ8DSV |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novexel SA
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation |
Antimicrob Agents Chemother 54: 5132-8 (2010)
Article DOI: 10.1128/AAC.00568-10 BindingDB Entry DOI: 10.7270/Q2CJ8DSV |
More data for this Ligand-Target Pair | |
Beta-lactamase 1
(Bacillus cereus) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Beta-lactamase of Bacillus cereus (class A enzyme) without preincubation |
Bioorg Med Chem Lett 5: 2037-2040 (1995)
Article DOI: 10.1016/0960-894X(95)00348-W BindingDB Entry DOI: 10.7270/Q2X63MXR |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Bacillus clausii) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
H�pital de Bic�tre
Curated by ChEMBL
| Assay Description Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3) |
Antimicrob Agents Chemother 51: 4009-14 (2007)
Article DOI: 10.1128/AAC.00537-07 BindingDB Entry DOI: 10.7270/Q20R9QBS |
More data for this Ligand-Target Pair | |
Beta-lactamase SCO-1
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | KEGG
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Hellenique
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli beta-lactamase SCO1 |
Antimicrob Agents Chemother 51: 2185-8 (2007)
Article DOI: 10.1128/AAC.01439-06 BindingDB Entry DOI: 10.7270/Q2028SFP |
More data for this Ligand-Target Pair | |
Beta-lactamase (TEM-1)
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Hellenique
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli K12 TEM1 |
Antimicrob Agents Chemother 51: 2185-8 (2007)
Article DOI: 10.1128/AAC.01439-06 BindingDB Entry DOI: 10.7270/Q2028SFP |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Proteus mirabilis) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | UniProtKB/SwissProt
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| | n/a | n/a | 342 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| | n/a | n/a | 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Enterobacter cloacae HC8 Class-I beta-lactamase enzyme type P99 |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Citrobacter freundii) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| | n/a | n/a | 857 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase (TEM-1)
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| | n/a | n/a | 557 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Escherichia coli HA58R Class-III TEM-1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
SHV-1 beta-lactamase
(Klebsiella pneumoniae (Enterobacteria)) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| n/a | n/a | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Escherichia coli HA208 Class-III SHV-1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Beta-lactamase
(Staphylococcus aureus) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
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| | n/a | n/a | 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase type II
(Bacteroides fragilis) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| | n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Class D β-lactamase (OXA-1)
(Escherichia coli (Enterobacteria)) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| | n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Escherichia coli HA209 Class-V OXA-1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Klebsiella oxytoca) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
UniProtKB/TrEMBL
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| | n/a | n/a | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase BRO-1
(Moraxella catarrhalis) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | UniProtKB/SwissProt UniProtKB/TrEMBL
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| | n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Bacterial beta-lactamase TEM
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from E. coli TEM2 using penicillin G (40 uM) as a substrate |
J Med Chem 30: 1469-74 (1987)
Article DOI: 10.1021/jm00391a032 BindingDB Entry DOI: 10.7270/Q28G8JQ0 |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Canalicular multispecific organic anion transporter 1
(Homo sapiens (Human)) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Canalicular multispecific organic anion transporter 2
(Homo sapiens (Human)) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 4
(Homo sapiens (Human)) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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Patents
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| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
UniProtKB/TrEMBL
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| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
H�pital de Bic�tre
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa 51170 beta-lactamase BEL-1 |
Antimicrob Agents Chemother 54: 533-5 (2010)
BindingDB Entry DOI: 10.7270/Q2G163PS |
More data for this Ligand-Target Pair | |
Beta-lactamase (TEM-1)
(Escherichia coli) | BDBM50021954
 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
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| US Patent
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | 7.0 | 37 |
NABRIVA THERAPEUTICS AG
US Patent
| Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ... |
US Patent US9120808 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BT5 |
More data for this Ligand-Target Pair | |