Found 22 hits Enz. Inhib. hit(s) with all data for entry = 3940 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Beta-lactamase
(Escherichia coli) | BDBM39816
(Acylglycineboronic acid, 15)Show SMILES CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(S)n1)C([O-])=O Show InChI InChI=1S/C10H14BN3O6S2/c1-10(2,8(16)17)20-14-6(5-3-22-9(21)13-5)7(15)12-4-11(18)19/h3,18-19H,4H2,1-2H3,(H,12,15)(H,13,21)(H,16,17)/p-1/b14-6+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39812
(Acylglycineboronic acid, 10)Show InChI InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39815
(Acylglycineboronic acid, 14)Show SMILES CC(C)(C)OC(=O)C(C)(C)O\N=C(\C(=O)NCB(O)O)c1csc(S)n1 Show InChI InChI=1S/C14H22BN3O6S2/c1-13(2,3)23-11(20)14(4,5)24-18-9(8-6-26-12(25)17-8)10(19)16-7-15(21)22/h6,21-22H,7H2,1-5H3,(H,16,19)(H,17,25)/b18-9+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50115620
(3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole...)Show InChI InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-lactamase
(Escherichia coli) | BDBM39814
(Acylglycineboronic acid, 13)Show InChI InChI=1S/C8H11BN2O3S/c12-8(11-6-9(13)14)5-15-7-1-3-10-4-2-7/h1-4,13-14H,5-6H2,(H,11,12) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39813
(Acylglycineboronic acid, 12)Show InChI InChI=1S/C3H7BClNO3/c5-1-3(7)6-2-4(8)9/h8-9H,1-2H2,(H,6,7) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39811
(Acylglycineboronic acid, 8)Show InChI InChI=1S/C10H14BNO4/c1-8(10(13)12-7-11(14)15)16-9-5-3-2-4-6-9/h2-6,8,14-15H,7H2,1H3,(H,12,13) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50115621
((2-(thiophen-2-yl)acetamido)methylboronic acid | A...)Show InChI InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
| PDB Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-lactamase
(Staphylococcus aureus) | BDBM39816
(Acylglycineboronic acid, 15)Show SMILES CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(S)n1)C([O-])=O Show InChI InChI=1S/C10H14BN3O6S2/c1-10(2,8(16)17)20-14-6(5-3-22-9(21)13-5)7(15)12-4-11(18)19/h3,18-19H,4H2,1-2H3,(H,12,15)(H,13,21)(H,16,17)/p-1/b14-6+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39809
(Acylglycineboronic acid, 6)Show InChI InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39810
(Acylglycineboronic acid, 7)Show InChI InChI=1S/C9H12BNO4/c12-9(11-7-10(13)14)6-15-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39808
(Acylglycineboronic acid, 3)Show InChI InChI=1S/C2H6BNO3/c5-2-4-1-3(6)7/h2,6-7H,1H2,(H,4,5) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM50115621
((2-(thiophen-2-yl)acetamido)methylboronic acid | A...)Show InChI InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM50115620
(3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole...)Show InChI InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM39809
(Acylglycineboronic acid, 6)Show InChI InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50202233
(Acylglycineboronic acid, 5 | CHEMBL227673 | acetam...)Show InChI InChI=1S/C3H8BNO3/c1-3(6)5-2-4(7)8/h7-8H,2H2,1H3,(H,5,6) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM39808
(Acylglycineboronic acid, 3)Show InChI InChI=1S/C2H6BNO3/c5-2-4-1-3(6)7/h2,6-7H,1H2,(H,4,5) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM50202233
(Acylglycineboronic acid, 5 | CHEMBL227673 | acetam...)Show InChI InChI=1S/C3H8BNO3/c1-3(6)5-2-4(7)8/h7-8H,2H2,1H3,(H,5,6) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39818
(Methylboronic Acid) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM39817
(Boric acid | Boronic Acid) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
KEGG MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM39818
(Methylboronic Acid) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 2.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39817
(Boric acid | Boronic Acid) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
KEGG MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 2.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. |
Chem Biol 8: 17-31 (2001)
Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R |
More data for this Ligand-Target Pair | |