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BDBM50033685 CHEMBL8290::Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-ylidene]-7-oxo-4-oxa-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

SMILES: OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O

InChI Key: InChIKey=HZZVJAQRINQKSD-PBFISZAISA-M

Data: 7 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50033685   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase


(Enterobacter cloacae)
BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99


J Med Chem 38: 1022-34 (1995)


Article DOI: 10.1021/jm00006a022
BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310


J Med Chem 38: 1022-34 (1995)


Article DOI: 10.1021/jm00006a022
BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368


J Med Chem 38: 1022-34 (1995)


Article DOI: 10.1021/jm00006a022
BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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n/an/a 3.30E+5n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins in presenc...


ACS Med Chem Lett 10: 923-928 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00093
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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n/an/a 5.39E+5n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins by spectro...


ACS Med Chem Lett 10: 923-928 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00093
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Tested for inhibition of renin from human


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair