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PubMed code 10890171

Compile data set for download or QSAR
Found 6 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


(Enterobacter cloacae)
BDBM50089775
PNG
(CHEMBL287670 | Potassium; (4S,5R,6S)-6-((R)-1-hydr...)
Show SMILES COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O |t:2|
Show InChI InChI=1S/C11H15NO5/c1-4-7-6(5(2)13)10(14)12(7)8(11(15)16)9(4)17-3/h4-7,13H,1-3H3,(H,15,16)/p-1/t4-,5+,6+,7?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 82n/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


(Escherichia coli)
BDBM50089776
PNG
(CHEMBL283629 | Potassium; (4R,5R,6S)-6-((R)-1-hydr...)
Show SMILES COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C([O-])=O |t:2|
Show InChI InChI=1S/C11H15NO5/c1-4-7-6(5(2)13)10(14)12(7)8(11(15)16)9(4)17-3/h4-7,13H,1-3H3,(H,15,16)/p-1/t4-,5-,6-,7?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 130n/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
Beta-lactamase TEM


(Escherichia coli)
BDBM50089775
PNG
(CHEMBL287670 | Potassium; (4S,5R,6S)-6-((R)-1-hydr...)
Show SMILES COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O |t:2|
Show InChI InChI=1S/C11H15NO5/c1-4-7-6(5(2)13)10(14)12(7)8(11(15)16)9(4)17-3/h4-7,13H,1-3H3,(H,15,16)/p-1/t4-,5+,6+,7?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 230n/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
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


(Enterobacter cloacae)
BDBM50089776
PNG
(CHEMBL283629 | Potassium; (4R,5R,6S)-6-((R)-1-hydr...)
Show SMILES COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C([O-])=O |t:2|
Show InChI InChI=1S/C11H15NO5/c1-4-7-6(5(2)13)10(14)12(7)8(11(15)16)9(4)17-3/h4-7,13H,1-3H3,(H,15,16)/p-1/t4-,5-,6-,7?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.10E+3n/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


(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

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
* indicates data uncertainty>20%