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Compile Data Set for Download or QSAR

Found 112 hits of ic50 for UniProtKB: P00807   
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


(Staphylococcus aureus)
BDBM50079694
PNG
(CHEMBL294608 | Sodium; (2S,3R)-3-methyl-4,4,7-trio...)
Show SMILES C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C22H20N2O7S/c1-22(13-31-17(25)11-14-7-3-2-4-8-14)18(21(27)28)24-19(26)16(20(24)32(22,29)30)12-15-9-5-6-10-23-15/h2-10,12,18,20H,11,13H2,1H3,(H,27,28)/p-1/b16-12-/t18-,20?,22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079695
PNG
(CHEMBL294203 | sodium (2S,3R,5R,6Z)-3-[(acetyloxy)...)
Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C16H16N2O7S/c1-9(19)25-8-16(2)12(15(21)22)18-13(20)11(14(18)26(16,23)24)7-10-5-3-4-6-17-10/h3-7,12,14H,8H2,1-2H3,(H,21,22)/p-1/b11-7-/t12-,14?,16-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079686
PNG
(CHEMBL292093 | disodium (2S,3R,5R,6Z)-3-methyl-6-(...)
Show SMILES C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C18H17NO9S/c1-18(9-28-13(22)7-10-5-3-2-4-6-10)14(17(24)25)19-15(23)11(8-12(20)21)16(19)29(18,26)27/h2-6,8,14,16H,7,9H2,1H3,(H,20,21)(H,24,25)/p-2/b11-8-/t14-,16?,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine beta-lactamase, PC1 (class A) derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 25.1n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079689
PNG
(CHEMBL303053 | Sodium; (2S,3R)-3-[2-(3,4-dihydroxy...)
Show SMILES C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C22H20N2O9S/c1-22(11-33-17(27)9-12-5-6-15(25)16(26)8-12)18(21(29)30)24-19(28)14(20(24)34(22,31)32)10-13-4-2-3-7-23-13/h2-8,10,18,20,25-26H,9,11H2,1H3,(H,29,30)/p-1/b14-10-/t18-,20?,22-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50033680
PNG
(CHEMBL268919 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C16H19NO9S/c1-8(18)25-6-9-7-27(23,24)14-10(5-11(19)26-16(2,3)4)13(20)17(14)12(9)15(21)22/h5,14H,6-7H2,1-4H3,(H,21,22)/p-1/b10-5-/t14-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 10: 847-51 (2000)


Article DOI: 10.1016/s0960-894x(00)00094-9
BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079694
PNG
(CHEMBL294608 | Sodium; (2S,3R)-3-methyl-4,4,7-trio...)
Show SMILES C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C22H20N2O7S/c1-22(13-31-17(25)11-14-7-3-2-4-8-14)18(21(27)28)24-19(26)16(20(24)32(22,29)30)12-15-9-5-6-10-23-15/h2-10,12,18,20H,11,13H2,1H3,(H,27,28)/p-1/b16-12-/t18-,20?,22-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212641
PNG
(BROBACTAM | Brobactam)
Show SMILES CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
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n/an/a 46.4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079689
PNG
(CHEMBL303053 | Sodium; (2S,3R)-3-[2-(3,4-dihydroxy...)
Show SMILES C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C22H20N2O9S/c1-22(11-33-17(27)9-12-5-6-15(25)16(26)8-12)18(21(29)30)24-19(28)14(20(24)34(22,31)32)10-13-4-2-3-7-23-13/h2-8,10,18,20,25-26H,9,11H2,1H3,(H,29,30)/p-1/b14-10-/t18-,20?,22-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079695
PNG
(CHEMBL294203 | sodium (2S,3R,5R,6Z)-3-[(acetyloxy)...)
Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C16H16N2O7S/c1-9(19)25-8-16(2)12(15(21)22)18-13(20)11(14(18)26(16,23)24)7-10-5-3-4-6-17-10/h3-7,12,14H,8H2,1-2H3,(H,21,22)/p-1/b11-7-/t12-,14?,16-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212643
PNG
(CHEMBL308516)
Show SMILES C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C15H13BrN2O3S3/c1-15(6-22-14-17-7-4-2-3-5-8(7)23-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10+,12-,15+/m1/s1
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n/an/a 71.8n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 80n/an/an/an/an/an/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


(Staphylococcus aureus)
BDBM50088831
PNG
(CHEMBL353613 | Sodium; 3-((E)-2-carbamoyl-vinyl)-5...)
Show SMILES NC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C16H13N3O6S/c17-12(20)5-4-9-8-26(24,25)15-11(7-10-3-1-2-6-18-10)14(21)19(15)13(9)16(22)23/h1-7,15H,8H2,(H2,17,20)(H,22,23)/p-1/b5-4+,11-7-
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n/an/a 100n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


Bioorg Med Chem Lett 10: 853-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212634
PNG
(CHEMBL309009)
Show SMILES C[C@]1(CSc2nc3ccccc3o2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H14N2O6S2/c1-15(7-24-14-16-8-4-2-3-5-9(8)23-14)12(13(19)20)17-10(18)6-11(17)25(15,21)22/h2-5,11-12H,6-7H2,1H3,(H,19,20)/t11-,12+,15+/m1/s1
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n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079684
PNG
(CHEMBL305361 | disodium (2S,3R,5R,6Z)-3-({[(3,4-di...)
Show SMILES C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C18H17NO11S/c1-18(7-30-13(24)5-8-2-3-10(20)11(21)4-8)14(17(26)27)19-15(25)9(6-12(22)23)16(19)31(18,28)29/h2-4,6,14,16,20-21H,5,7H2,1H3,(H,22,23)(H,26,27)/p-2/b9-6-/t14-,16?,18-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212642
PNG
(CHEMBL70269)
Show SMILES C[C@@]1(CSc2nc3ccccc3o2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C15H13BrN2O4S2/c1-15(6-23-14-17-7-4-2-3-5-8(7)22-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10+,12-,15+/m1/s1
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n/an/a 116n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212636
PNG
(CHEMBL310221)
Show SMILES C[C@@]1(CSC2=NCCS2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C11H13BrN2O3S3/c1-11(4-19-10-13-2-3-18-10)6(9(16)17)14-7(15)5(12)8(14)20-11/h5-6,8H,2-4H2,1H3,(H,16,17)/t5-,6+,8-,11+/m1/s1
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n/an/a 125n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50053173
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
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n/an/a 166n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079685
PNG
(CHEMBL61762 | disodium (2S,3R,5R,6Z)-3-[(acetyloxy...)
Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H13NO9S/c1-5(14)22-4-12(2)8(11(18)19)13-9(17)6(3-7(15)16)10(13)23(12,20)21/h3,8,10H,4H2,1-2H3,(H,15,16)(H,18,19)/p-2/b6-3-/t8-,10?,12-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212638
PNG
(CHEMBL302512)
Show SMILES Cn1nnnc1SC[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1
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n/an/a 181n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079682
PNG
(CHEMBL64793 | disodium (2S,3R,5R,6Z)-3-{[(chloroac...)
Show SMILES C[C@]1(COC(=O)CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12ClNO9S/c1-12(4-23-7(17)3-13)8(11(19)20)14-9(18)5(2-6(15)16)10(14)24(12,21)22/h2,8,10H,3-4H2,1H3,(H,15,16)(H,19,20)/p-2/b5-2-/t8-,10?,12-/m0/s1
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n/an/a 196n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50088825
PNG
(CHEMBL353422 | Sodium; 3-((E)-2-nitro-vinyl)-5,5,8...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O7S/c19-13-11(7-10-3-1-2-5-16-10)14-18(13)12(15(20)21)9(4-6-17(22)23)8-26(14,24)25/h1-7,14H,8H2,(H,20,21)/p-1/b6-4+,11-7-
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n/an/a 200n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


Bioorg Med Chem Lett 10: 853-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079692
PNG
(CHEMBL292506 | Disodium; (2S,3R)-6-[1-carboxy-meth...)
Show SMILES Cn1nnnc1SCC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H15N5O9S2/c1-14(5-28-8(22)4-29-13-15-16-17-18(13)2)9(12(24)25)19-10(23)6(3-7(20)21)11(19)30(14,26)27/h3,9,11H,4-5H2,1-2H3,(H,20,21)(H,24,25)/p-2/b6-3-/t9-,11?,14-/m0/s1
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n/an/a 233n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine beta-lactamase, PC1 (class A) derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Beta-lactamase from Staphylococcus aureus PCI


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50021956
PNG
(CHEMBL285387 | Sodium; 3-methyl-2,2,6-trioxo-3-[1,...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C11H13N3O5S/c1-11(5-14-3-2-12-13-14)9(10(16)17)8-6(15)4-7(8)20(11,18)19/h2-3,7-9H,4-5H2,1H3,(H,16,17)/p-1/t7?,8?,9-,11-/m0/s1
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n/an/a 260n/an/an/an/an/an/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


(Staphylococcus aureus)
BDBM50212639
PNG
(CHEMBL302241)
Show SMILES Cn1ccnc1SC[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H15N3O5S2/c1-12(6-21-11-13-3-4-14(11)2)9(10(17)18)15-7(16)5-8(15)22(12,19)20/h3-4,8-9H,5-6H2,1-2H3,(H,17,18)/t8-,9+,12+/m1/s1
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n/an/a 289n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50157692
PNG
(CHEMBL1439 | CL-307579 | Sodium; (2S,3S,5R)-3-meth...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na]
Show InChI InChI=1S/C10H12N4O5S.Na/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2-3,7-8H,4-5H2,1H3,(H,16,17);/q;+1/p-1/t7-,8+,10+;/m1./s1
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n/an/a 290n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 10: 847-51 (2000)


Article DOI: 10.1016/s0960-894x(00)00094-9
BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50421413
PNG
(CL-307579 | TAZOBACTAM SODIUM | Tazocillin)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/p-1/t7-,8+,10+/m1/s1
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n/an/a 297n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50088834
PNG
(CHEMBL169392 | Sodium; 3-((E)-2-methoxycarbonyl-vi...)
Show SMILES COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C17H14N2O7S/c1-26-13(20)6-5-10-9-27(24,25)16-12(8-11-4-2-3-7-18-11)15(21)19(16)14(10)17(22)23/h2-8,16H,9H2,1H3,(H,22,23)/p-1/b6-5+,12-8-
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n/an/a 300n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


Bioorg Med Chem Lett 10: 853-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079690
PNG
(CHEMBL304709 | sodium (2S,3R,5R,6Z)-3-[(acetyloxy)...)
Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C(N)=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H14N2O8S/c1-5(15)22-4-12(2)8(11(18)19)14-9(17)6(3-7(13)16)10(14)23(12,20)21/h3,8,10H,4H2,1-2H3,(H2,13,16)(H,18,19)/p-1/b6-3-/t8-,10?,12-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212645
PNG
(CHEMBL305908)
Show SMILES C[C@@]1(CSc2nc[nH]n2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1
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n/an/a 342n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079684
PNG
(CHEMBL305361 | disodium (2S,3R,5R,6Z)-3-({[(3,4-di...)
Show SMILES C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C18H17NO11S/c1-18(7-30-13(24)5-8-2-3-10(20)11(21)4-8)14(17(26)27)19-15(25)9(6-12(22)23)16(19)31(18,28)29/h2-4,6,14,16,20-21H,5,7H2,1H3,(H,22,23)(H,26,27)/p-2/b9-6-/t14-,16?,18-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079694
PNG
(CHEMBL294608 | Sodium; (2S,3R)-3-methyl-4,4,7-trio...)
Show SMILES C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C22H20N2O7S/c1-22(13-31-17(25)11-14-7-3-2-4-8-14)18(21(27)28)24-19(26)16(20(24)32(22,29)30)12-15-9-5-6-10-23-15/h2-10,12,18,20H,11,13H2,1H3,(H,27,28)/p-1/b16-12-/t18-,20?,22-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212646
PNG
(CHEMBL72972)
Show SMILES C[C@]1(CSc2nc3ccccc3[nH]2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H15N3O5S2/c1-15(7-24-14-16-8-4-2-3-5-9(8)17-14)12(13(20)21)18-10(19)6-11(18)25(15,22)23/h2-5,11-12H,6-7H2,1H3,(H,16,17)(H,20,21)/t11-,12+,15+/m1/s1
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n/an/a 419n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212640
PNG
(CHEMBL423309)
Show SMILES Cn1cnnc1SC[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1
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n/an/a 461n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50053173
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Beta-lactamase from Staphylococcus aureus PCI


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212644
PNG
(CHEMBL73450)
Show SMILES Cn1ccnc1SC[C@]1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C12H14BrN3O3S2/c1-12(5-20-11-14-3-4-15(11)2)7(10(18)19)16-8(17)6(13)9(16)21-12/h3-4,6-7,9H,5H2,1-2H3,(H,18,19)/t6-,7+,9-,12+/m1/s1
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n/an/a 509n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079686
PNG
(CHEMBL292093 | disodium (2S,3R,5R,6Z)-3-methyl-6-(...)
Show SMILES C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C18H17NO9S/c1-18(9-28-13(22)7-10-5-3-2-4-6-10)14(17(24)25)19-15(23)11(8-12(20)21)16(19)29(18,26)27/h2-6,8,14,16H,7,9H2,1H3,(H,20,21)(H,24,25)/p-2/b11-8-/t14-,16?,18-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine beta-lactamase, PC1 (class A) derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212637
PNG
(CHEMBL72046)
Show SMILES C[C@]1(CSC2=NCCS2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C11H14N2O5S3/c1-11(5-20-10-12-2-3-19-10)8(9(15)16)13-6(14)4-7(13)21(11,17)18/h7-8H,2-5H2,1H3,(H,15,16)/t7-,8+,11+/m1/s1
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n/an/a 570n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079680
PNG
(CHEMBL61760 | disodium (2S,3R,5R,6Z)-3-[(formyloxy...)
Show SMILES C[C@]1(COC=O)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C11H11NO9S/c1-11(3-21-4-13)7(10(17)18)12-8(16)5(2-6(14)15)9(12)22(11,19)20/h2,4,7,9H,3H2,1H3,(H,14,15)(H,17,18)/p-2/b5-2-/t7-,9?,11-/m0/s1
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n/an/a 592n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079692
PNG
(CHEMBL292506 | Disodium; (2S,3R)-6-[1-carboxy-meth...)
Show SMILES Cn1nnnc1SCC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H15N5O9S2/c1-14(5-28-8(22)4-29-13-15-16-17-18(13)2)9(12(24)25)19-10(23)6(3-7(20)21)11(19)30(14,26)27/h3,9,11H,4-5H2,1-2H3,(H,20,21)(H,24,25)/p-2/b6-3-/t9-,11?,14-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079695
PNG
(CHEMBL294203 | sodium (2S,3R,5R,6Z)-3-[(acetyloxy)...)
Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C16H16N2O7S/c1-9(19)25-8-16(2)12(15(21)22)18-13(20)11(14(18)26(16,23)24)7-10-5-3-4-6-17-10/h3-7,12,14H,8H2,1-2H3,(H,21,22)/p-1/b11-7-/t12-,14?,16-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079689
PNG
(CHEMBL303053 | Sodium; (2S,3R)-3-[2-(3,4-dihydroxy...)
Show SMILES C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C22H20N2O9S/c1-22(11-33-17(27)9-12-5-6-15(25)16(26)8-12)18(21(29)30)24-19(28)14(20(24)34(22,31)32)10-13-4-2-3-7-23-13/h2-8,10,18,20,25-26H,9,11H2,1H3,(H,29,30)/p-1/b14-10-/t18-,20?,22-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079685
PNG
(CHEMBL61762 | disodium (2S,3R,5R,6Z)-3-[(acetyloxy...)
Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H13NO9S/c1-5(14)22-4-12(2)8(11(18)19)13-9(17)6(3-7(15)16)10(13)23(12,20)21/h3,8,10H,4H2,1-2H3,(H,15,16)(H,18,19)/p-2/b6-3-/t8-,10?,12-/m0/s1
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n/an/a 708n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50088827
PNG
(CHEMBL355558 | Sodium; 3-((E)-2-cyano-vinyl)-5,5,8...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C#N
Show InChI InChI=1S/C16H11N3O5S/c17-6-3-4-10-9-25(23,24)15-12(8-11-5-1-2-7-18-11)14(20)19(15)13(10)16(21)22/h1-5,7-8,15H,9H2,(H,21,22)/p-1/b4-3+,12-8-
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n/an/a 720n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


Bioorg Med Chem Lett 10: 853-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50088814
PNG
(CHEMBL169515 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O
Show InChI InChI=1S/C17H19NO9S/c1-8-11(7-26-9(2)19)13(16(22)23)18-14(21)10(15(18)28(8,24)25)6-12(20)27-17(3,4)5/h6,15H,1,7H2,2-5H3,(H,22,23)/p-1/b10-6-/t15-/m1/s1
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n/an/a 932n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 10: 847-51 (2000)


Article DOI: 10.1016/s0960-894x(00)00094-9
BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50088806
PNG
(CHEMBL169016 | Sodium; (R)-7-[1-tert-butoxycarbony...)
Show SMILES Cn1nnnc1SCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O
Show InChI InChI=1S/C17H19N5O7S2/c1-8-10(7-30-16-18-19-20-21(16)5)12(15(25)26)22-13(24)9(14(22)31(8,27)28)6-11(23)29-17(2,3)4/h6,14H,1,7H2,2-5H3,(H,25,26)/p-1/b9-6-/t14-/m1/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus


Bioorg Med Chem Lett 10: 847-51 (2000)


Article DOI: 10.1016/s0960-894x(00)00094-9
BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50088816
PNG
(CHEMBL167539 | Sodium; 3-((Z)-2-chloro-2-methoxyca...)
Show SMILES COC(=O)C(\Cl)=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C17H13ClN2O7S/c1-27-17(24)12(18)6-9-8-28(25,26)15-11(7-10-4-2-3-5-19-10)14(21)20(15)13(9)16(22)23/h2-7,15H,8H2,1H3,(H,22,23)/p-1/b11-7-,12-6-
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n/an/a 1.40E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


Bioorg Med Chem Lett 10: 853-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212635
PNG
(CHEMBL415266)
Show SMILES Cn1nnnc1SC[C@]1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C10H12BrN5O3S2/c1-10(3-20-9-12-13-14-15(9)2)5(8(18)19)16-6(17)4(11)7(16)21-10/h4-5,7H,3H2,1-2H3,(H,18,19)/t4-,5+,7-,10+/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50079691
PNG
(CHEMBL60491 | disodium (2S,5R,6Z)-3,3-dimethyl-6-(...)
Show SMILES CC1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H11NO7S/c1-10(2)6(9(15)16)11-7(14)4(3-5(12)13)8(11)19(10,17)18/h3,6,8H,1-2H3,(H,12,13)(H,15,16)/p-2/b4-3-/t6-,8?/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus


Bioorg Med Chem Lett 9: 1997-2002 (1999)


Article DOI: 10.1016/s0960-894x(99)00325-x
BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
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