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BDBM50140669 (2S,5R,6S)-6-Mercapto-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL26275

SMILES: CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O

InChI Key: InChIKey=AFPLSUQTYBHSDG-RVJQKOHUSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50140669   
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 L1


(Stenotrophomonas maltophilia)
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

UniProtKB/SwissProt

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

Similars

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


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


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


(Escherichia coli)
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
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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


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


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


(Bacillus cereus)
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
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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


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


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


(Escherichia coli)
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

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


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


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