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4 similar compounds to monomer 50021959

Wt: 289.2
BDBM50015875
Wt: 198.1
BDBM50033685
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Wt: 198.1
BDBM50240349
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Wt: 182.1
BDBM50284352

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50015875,50033685,50240349,50284352   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50015875
PNG
(3-(2-Hydroxy-ethylidene)-7-oxo-4-oxa-1-aza-bicyclo...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C15H15NO5/c17-7-6-11-14(16-12(18)8-13(16)21-11)15(19)20-9-10-4-2-1-3-5-10/h1-6,13-14,17H,7-9H2/b11-6-/t13-,14-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme


J Med Chem 33: 2513-21 (1990)


Article DOI: 10.1021/jm00171a028
BindingDB Entry DOI: 10.7270/Q2Q81C2Q
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 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)
BDBM50284352
PNG
(CHEMBL9365 | Sodium; (2R,5R)-3-eth-(Z)-ylidene-7-o...)
Show SMILES C\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO4/c1-2-4-7(8(11)12)9-5(10)3-6(9)13-4/h2,6-7H,3H2,1H3,(H,11,12)/p-1/b4-2-/t6-,7-/m1/s1
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n/an/an/a 800n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kd of the compound for TEM-1 beta-lactamase


Bioorg Med Chem Lett 5: 1043-1048 (1995)


Article DOI: 10.1016/0960-894X(95)00162-M
BindingDB Entry DOI: 10.7270/Q2K64J1J
More data for this
Ligand-Target Pair
PER-2 beta-lactamase


(Citrobacter freundii)
BDBM50240349
PNG
(CHEMBL9306 | Lithium; (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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PubMed
n/an/a 68n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Citrobacter freundii PER2 beta lactamase


Antimicrob Agents Chemother 51: 2359-65 (2007)


Article DOI: 10.1128/AAC.01395-06
BindingDB Entry DOI: 10.7270/Q24X57J4
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50240349
PNG
(CHEMBL9306 | Lithium; (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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Article
n/an/an/a 400n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kd of the compound for TEM-1 beta-lactamase


Bioorg Med Chem Lett 5: 1043-1048 (1995)


Article DOI: 10.1016/0960-894X(95)00162-M
BindingDB Entry DOI: 10.7270/Q2K64J1J
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
PDB
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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