BindingDB logo
myBDB logout

18 similar compounds to monomer 50021954

Wt: 262.2
BDBM152696
Wt: 278.6
BDBM50053178
Wt: 263.2
BDBM50076672
Wt: 276.2
BDBM50076673
Wt: 276.2
BDBM50076674
Wt: 276.2
BDBM50076677
Wt: 263.2
BDBM50076678
Wt: 315.3
BDBM50099188
Wt: 315.3
BDBM50099195
Wt: 298.3
BDBM50099191
Wt: 301.3
BDBM50099196
Wt: 279.3
BDBM50140666
Wt: 279.3
BDBM50140668
Wt: 265.3
BDBM50140669
Wt: 267.6
BDBM50285121
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 152696,50053178,50076672,50076673,50076674,50076677,50076678,50099188,50099195,50099191,50099196,50140666,50140668,50140669,50285121   
Target
(Institution)
LigandTarget
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
SHV-1 beta-lactamase


(Klebsiella pneumoniae (Enterobacteria))
BDBM152696
PNG
(PSR-3-283A)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/p-1/t4-,5+,7-/s2
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
560n/a 320n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50099195
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...)
Show SMILES CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50099188
PNG
((2S,5S)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...)
Show SMILES CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against AmpC enzyme


Bioorg Med Chem Lett 11: 997-1000 (2001)

More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50099196
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...)
Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against CCRA enzyme


Bioorg Med Chem Lett 11: 997-1000 (2001)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50099195
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...)
Show SMILES CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against AmpC enzyme


Bioorg Med Chem Lett 11: 997-1000 (2001)

More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50099191
PNG
((2S,5S)-6-((E)-3-Cyano-allyl)-3,3-dimethyl-4,4,7-t...)
Show SMILES CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H14N2O5S/c1-12(2)8(11(16)17)14-9(15)7(5-3-4-6-13)10(14)20(12,18)19/h3-4,7-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50099188
PNG
((2S,5S)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...)
Show SMILES CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50099191
PNG
((2S,5S)-6-((E)-3-Cyano-allyl)-3,3-dimethyl-4,4,7-t...)
Show SMILES CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H14N2O5S/c1-12(2)8(11(16)17)14-9(15)7(5-3-4-6-13)10(14)20(12,18)19/h3-4,7-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against AmpC enzyme


Bioorg Med Chem Lett 11: 997-1000 (2001)

More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50099195
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...)
Show SMILES CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 7.10E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against CCRA enzyme


Bioorg Med Chem Lett 11: 997-1000 (2001)

More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50099196
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...)
Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50099196
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...)
Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against AmpC enzyme


Bioorg Med Chem Lett 11: 997-1000 (2001)

More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50076672
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140669
PNG
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-4,4,7-trioxo-4l...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S2/c1-8(2)4(7(11)12)9-5(10)3(15)6(9)16(8,13)14/h3-4,6,15H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140666
PNG
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50076678
PNG
((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 650n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50140666
PNG
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140668
PNG
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50140669
PNG
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-4,4,7-trioxo-4l...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S2/c1-8(2)4(7(11)12)9-5(10)3(15)6(9)16(8,13)14/h3-4,6,15H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.92E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50140668
PNG
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.17E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50076678
PNG
((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 7.23E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50076672
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


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


(Enterobacter cloacae)
BDBM50053178
PNG
(CHEMBL333581 | Sodium; (2S,3S,5R)-3-((Z)-2-chloro-...)
Show SMILES C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C9H10ClNO5S/c1-9(2-3-10)7(8(13)14)11-5(12)4-6(11)17(9,15)16/h2-3,6-7H,4H2,1H3,(H,13,14)/p-1/b3-2-/t6-,7+,9+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Escherichia coli AmpC ,class C of Beta-lactamase


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


(Enterobacter cloacae)
BDBM50053178
PNG
(CHEMBL333581 | Sodium; (2S,3S,5R)-3-((Z)-2-chloro-...)
Show SMILES C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C9H10ClNO5S/c1-9(2-3-10)7(8(13)14)11-5(12)4-6(11)17(9,15)16/h2-3,6-7H,4H2,1H3,(H,13,14)/p-1/b3-2-/t6-,7+,9+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Pseudomonas aeruginosa 18SH ,class C of Beta-lactamase


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


(Enterobacter cloacae)
BDBM50053178
PNG
(CHEMBL333581 | Sodium; (2S,3S,5R)-3-((Z)-2-chloro-...)
Show SMILES C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C9H10ClNO5S/c1-9(2-3-10)7(8(13)14)11-5(12)4-6(11)17(9,15)16/h2-3,6-7H,4H2,1H3,(H,13,14)/p-1/b3-2-/t6-,7+,9+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase


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


(Escherichia coli)
BDBM50140669
PNG
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-4,4,7-trioxo-4l...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S2/c1-8(2)4(7(11)12)9-5(10)3(15)6(9)16(8,13)14/h3-4,6,15H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


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


(Escherichia coli)
BDBM50076672
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140666
PNG
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


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


(Escherichia coli)
BDBM50076678
PNG
((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140668
PNG
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50140669
PNG
((2S,5R,6S)-6-Mercapto-3,3-dimethyl-4,4,7-trioxo-4l...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S2/c1-8(2)4(7(11)12)9-5(10)3(15)6(9)16(8,13)14/h3-4,6,15H,1-2H3,(H,11,12)/t3-,4-,6+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


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


(Escherichia coli)
BDBM50140666
PNG
((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50076672
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


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


(Escherichia coli)
BDBM50140668
PNG
((2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-tri...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO5S2/c1-9(2)5(8(12)13)10-6(11)4(3-16)7(10)17(9,14)15/h4-5,7,16H,3H2,1-2H3,(H,12,13)/t4-,5-,7+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens)
BDBM50076678
PNG
((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 1


(Bacillus cereus)
BDBM50285121
PNG
((2S,5R,6S)-6-Chloro-3,3-dimethyl-4,4,7-trioxo-4lam...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](Cl)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H10ClNO5S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)16(8,14)15/h3-4,6H,1-2H3,(H,12,13)/t3-,4-,6+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the ability to inhibit Beta-lactamase of Bacillus cereus (class A enzyme) with 10 minutes preincubation


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase 1


(Bacillus cereus)
BDBM50285121
PNG
((2S,5R,6S)-6-Chloro-3,3-dimethyl-4,4,7-trioxo-4lam...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](Cl)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H10ClNO5S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)16(8,14)15/h3-4,6H,1-2H3,(H,12,13)/t3-,4-,6+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 1.50E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Beta-lactamase of Bacillus cereus (class A enzyme) without preincubation


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


(Escherichia coli)
BDBM50076672
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50076678
PNG
((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PubMed
n/an/a 1.16E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50076672
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50076677
PNG
(CHEMBL177912 | Sodium; (2S,5R,6S)-6-((R)-1-hydroxy...)
Show SMILES C[C@@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C10H15NO6S/c1-4(12)5-7(13)11-6(9(14)15)10(2,3)18(16,17)8(5)11/h4-6,8,12H,1-3H3,(H,14,15)/p-1/t4-,5+,6+,8-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 4.79E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50076673
PNG
(CHEMBL175189 | Sodium; (2S,5R,6R)-6-((S)-1-hydroxy...)
Show SMILES C[C@H](O)[C@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C10H15NO6S/c1-4(12)5-7(13)11-6(9(14)15)10(2,3)18(16,17)8(5)11/h4-6,8,12H,1-3H3,(H,14,15)/p-1/t4-,5+,6-,8+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.04E+5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50076674
PNG
(CHEMBL177772 | Sodium; (2S,5R,6S)-6-((S)-1-hydroxy...)
Show SMILES C[C@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C10H15NO6S/c1-4(12)5-7(13)11-6(9(14)15)10(2,3)18(16,17)8(5)11/h4-6,8,12H,1-3H3,(H,14,15)/p-1/t4-,5-,6-,8+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a>3.34E+5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50076673
PNG
(CHEMBL175189 | Sodium; (2S,5R,6R)-6-((S)-1-hydroxy...)
Show SMILES C[C@H](O)[C@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C10H15NO6S/c1-4(12)5-7(13)11-6(9(14)15)10(2,3)18(16,17)8(5)11/h4-6,8,12H,1-3H3,(H,14,15)/p-1/t4-,5+,6-,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 120n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50076678
PNG
((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 8n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50076677
PNG
(CHEMBL177912 | Sodium; (2S,5R,6S)-6-((R)-1-hydroxy...)
Show SMILES C[C@@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C10H15NO6S/c1-4(12)5-7(13)11-6(9(14)15)10(2,3)18(16,17)8(5)11/h4-6,8,12H,1-3H3,(H,14,15)/p-1/t4-,5+,6+,8-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50076674
PNG
(CHEMBL177772 | Sodium; (2S,5R,6S)-6-((S)-1-hydroxy...)
Show SMILES C[C@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C10H15NO6S/c1-4(12)5-7(13)11-6(9(14)15)10(2,3)18(16,17)8(5)11/h4-6,8,12H,1-3H3,(H,14,15)/p-1/t4-,5-,6-,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50099188
PNG
((2S,5S)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...)
Show SMILES CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against CCRA enzyme


Bioorg Med Chem Lett 11: 997-1000 (2001)

More data for this
Ligand-Target Pair
Beta-lactamase type II


(Bacteroides fragilis)
BDBM50099191
PNG
((2S,5S)-6-((E)-3-Cyano-allyl)-3,3-dimethyl-4,4,7-t...)
Show SMILES CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H14N2O5S/c1-12(2)8(11(16)17)14-9(15)7(5-3-4-6-13)10(14)20(12,18)19/h3-4,7-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against CCRA enzyme


Bioorg Med Chem Lett 11: 997-1000 (2001)

More data for this
Ligand-Target Pair