BindingDB logo
myBDB logout

PubMed code 10450969

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.84E+3n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.21E+3n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079693
PNG
(CHEMBL59053 | Sodium; (2S,3R)-6-[1-methoxycarbonyl...)
Show SMILES COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(=O)CSc3nnnn3C)S2(=O)=O)C1=O
Show InChI InChI=1S/C15H17N5O9S2/c1-15(6-29-9(22)5-30-14-16-17-18-19(14)2)10(13(24)25)20-11(23)7(4-8(21)28-3)12(20)31(15,26)27/h4,10,12H,5-6H2,1-3H3,(H,24,25)/p-1/b7-4-/t10-,12?,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.37E+3n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.57E+3n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079679
PNG
(CHEMBL64056 | sodium (2S,3R,5R,6Z)-3-[(acetyloxy)m...)
Show SMILES COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(C)=O)S2(=O)=O)C1=O
Show InChI InChI=1S/C13H15NO9S/c1-6(15)23-5-13(2)9(12(18)19)14-10(17)7(4-8(16)22-3)11(14)24(13,20)21/h4,9,11H,5H2,1-3H3,(H,18,19)/p-1/b7-4-/t9-,11?,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.72E+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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.50E+3n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079681
PNG
(CHEMBL60220 | disodium (2S,3S,5R,6Z)-3-[(E)-2-cyan...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H10N2O7S/c1-12(3-2-4-13)8(11(18)19)14-9(17)6(5-7(15)16)10(14)22(12,20)21/h2-3,5,8,10H,1H3,(H,15,16)(H,18,19)/p-2/b3-2+,6-5-/t8-,10?,12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.76E+3n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.20E+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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 8.48E+3n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079679
PNG
(CHEMBL64056 | sodium (2S,3R,5R,6Z)-3-[(acetyloxy)m...)
Show SMILES COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(C)=O)S2(=O)=O)C1=O
Show InChI InChI=1S/C13H15NO9S/c1-6(15)23-5-13(2)9(12(18)19)14-10(17)7(4-8(16)22-3)11(14)24(13,20)21/h4,9,11H,5H2,1-3H3,(H,18,19)/p-1/b7-4-/t9-,11?,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 9.51E+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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079693
PNG
(CHEMBL59053 | Sodium; (2S,3R)-6-[1-methoxycarbonyl...)
Show SMILES COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(=O)CSc3nnnn3C)S2(=O)=O)C1=O
Show InChI InChI=1S/C15H17N5O9S2/c1-15(6-29-9(22)5-30-14-16-17-18-19(14)2)10(13(24)25)20-11(23)7(4-8(21)28-3)12(20)31(15,26)27/h4,10,12H,5-6H2,1-3H3,(H,24,25)/p-1/b7-4-/t10-,12?,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.32E+4n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079683
PNG
(CHEMBL292147 | Sodium; (2S,3R)-3-chloromethyl-6-[1...)
Show SMILES COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(CCl)S2(=O)=O)C1=O
Show InChI InChI=1S/C11H12ClNO7S/c1-11(4-12)7(10(16)17)13-8(15)5(3-6(14)20-2)9(13)21(11,18)19/h3,7,9H,4H2,1-2H3,(H,16,17)/p-1/b5-3-/t7-,9?,11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.39E+4n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079681
PNG
(CHEMBL60220 | disodium (2S,3S,5R,6Z)-3-[(E)-2-cyan...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H10N2O7S/c1-12(3-2-4-13)8(11(18)19)14-9(17)6(5-7(15)16)10(14)22(12,20)21/h2-3,5,8,10H,1H3,(H,15,16)(H,18,19)/p-2/b3-2+,6-5-/t8-,10?,12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.17E+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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079683
PNG
(CHEMBL292147 | Sodium; (2S,3R)-3-chloromethyl-6-[1...)
Show SMILES COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(CCl)S2(=O)=O)C1=O
Show InChI InChI=1S/C11H12ClNO7S/c1-11(4-12)7(10(16)17)13-8(15)5(3-6(14)20-2)9(13)21(11,18)19/h3,7,9H,4H2,1-2H3,(H,16,17)/p-1/b5-3-/t7-,9?,11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.45E+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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.19E+4n/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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.65E+4n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.08E+5n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.16E+5n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079688
PNG
((2S,3R,5R,6Z)-3-(chloromethyl)-3-methyl-6-(2-oxido...)
Show SMILES C[C@]1(CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10ClNO7S/c1-10(3-11)6(9(16)17)12-7(15)4(2-5(13)14)8(12)20(10,18)19/h2,6,8H,3H2,1H3,(H,13,14)(H,16,17)/p-2/b4-2-/t6-,8?,10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.21E+5n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.73E+5n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079683
PNG
(CHEMBL292147 | Sodium; (2S,3R)-3-chloromethyl-6-[1...)
Show SMILES COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(CCl)S2(=O)=O)C1=O
Show InChI InChI=1S/C11H12ClNO7S/c1-11(4-12)7(10(16)17)13-8(15)5(3-6(14)20-2)9(13)21(11,18)19/h3,7,9H,4H2,1-2H3,(H,16,17)/p-1/b5-3-/t7-,9?,11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.32E+5n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079681
PNG
(CHEMBL60220 | disodium (2S,3S,5R,6Z)-3-[(E)-2-cyan...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H10N2O7S/c1-12(3-2-4-13)8(11(18)19)14-9(17)6(5-7(15)16)10(14)22(12,20)21/h2-3,5,8,10H,1H3,(H,15,16)(H,18,19)/p-2/b3-2+,6-5-/t8-,10?,12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.04E+5n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079688
PNG
((2S,3R,5R,6Z)-3-(chloromethyl)-3-methyl-6-(2-oxido...)
Show SMILES C[C@]1(CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10ClNO7S/c1-10(3-11)6(9(16)17)12-7(15)4(2-5(13)14)8(12)20(10,18)19/h2,6,8H,3H2,1H3,(H,13,14)(H,16,17)/p-2/b4-2-/t6-,8?,10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.27E+5n/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)


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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.79E+5n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079693
PNG
(CHEMBL59053 | Sodium; (2S,3R)-6-[1-methoxycarbonyl...)
Show SMILES COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(=O)CSc3nnnn3C)S2(=O)=O)C1=O
Show InChI InChI=1S/C15H17N5O9S2/c1-15(6-29-9(22)5-30-14-16-17-18-19(14)2)10(13(24)25)20-11(23)7(4-8(21)28-3)12(20)31(15,26)27/h4,10,12H,5-6H2,1-3H3,(H,24,25)/p-1/b7-4-/t10-,12?,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 9.40E+5n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50079688
PNG
((2S,3R,5R,6Z)-3-(chloromethyl)-3-methyl-6-(2-oxido...)
Show SMILES C[C@]1(CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10ClNO7S/c1-10(3-11)6(9(16)17)12-7(15)4(2-5(13)14)8(12)20(10,18)19/h2,6,8H,3H2,1H3,(H,13,14)(H,16,17)/p-2/b4-2-/t6-,8?,10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.10E+6n/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)


BindingDB Entry DOI: 10.7270/Q2TQ60RF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%