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BDBM50089777 CHEMBL27621::Potassium; (5R,6S)-6-((R)-1-hydroxy-ethyl)-3-methoxy-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate

SMILES: COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O

InChI Key: InChIKey=JQVSNQBXQNNKIW-WYDQCIBASA-M

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089777   
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


(Enterobacter cloacae)
BDBM50089777
PNG
(CHEMBL27621 | Potassium; (5R,6S)-6-((R)-1-hydroxy-...)
Show SMILES COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O |t:2|
Show InChI InChI=1S/C10H13NO5/c1-4(12)7-5-3-6(16-2)8(10(14)15)11(5)9(7)13/h4-5,7,12H,3H2,1-2H3,(H,14,15)/p-1/t4-,5-,7-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 510n/an/an/an/an/an/a



University of Munich

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibition activity after 15 min of preincubation with the enzyme isolated from Enterobacter cloacae


Bioorg Med Chem Lett 10: 1389-91 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15GX
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50089777
PNG
(CHEMBL27621 | Potassium; (5R,6S)-6-((R)-1-hydroxy-...)
Show SMILES COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O |t:2|
Show InChI InChI=1S/C10H13NO5/c1-4(12)7-5-3-6(16-2)8(10(14)15)11(5)9(7)13/h4-5,7,12H,3H2,1-2H3,(H,14,15)/p-1/t4-,5-,7-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.40E+5n/an/an/an/an/an/a



University of Munich

Curated by ChEMBL


Assay Description
Beta-Lactamase inhibition activity after 15 min of preincubation with the enzyme isolated from Escherichia coli 205 TEM


Bioorg Med Chem Lett 10: 1389-91 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15GX
More data for this
Ligand-Target Pair