BindingDB logo
myBDB logout

BDBM50076677 CHEMBL177912::Sodium; (2S,5R,6S)-6-((R)-1-hydroxy-ethyl)-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

SMILES: C[C@@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O

InChI Key: InChIKey=JWBKZXUHEFRKRV-FZGKIIIMSA-M

Data: 2 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 2 hits for monomerid = 50076677   
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 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

Article
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)


Article DOI: 10.1016/s0960-894x(99)00106-7
BindingDB Entry DOI: 10.7270/Q2TB163Q
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
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

Article
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)


Article DOI: 10.1016/s0960-894x(99)00106-7
BindingDB Entry DOI: 10.7270/Q2TB163Q
More data for this
Ligand-Target Pair