Found 50 hits with Last Name = 'negri' and Initial = 'mc' 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) | BDBM39849
(Amide and sulfonamide derivatives, 33)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1 Show InChI InChI=1S/C18H18B2N2O8S2/c23-19(24)13-4-1-6-15(10-13)21-31(27,28)17-8-3-9-18(12-17)32(29,30)22-16-7-2-5-14(11-16)20(25)26/h1-12,21-26H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39856
(Amide and sulfonamide derivatives, 41)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1 Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-7-9-17(10-8-13)31(27,28)22-16-5-2-6-18(12-16)32(29,30)21-15-4-1-3-14(11-15)20(25)26/h1-12,21-22,25-26H,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50115616
(3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| MMDB
PDB
Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-lactamase
(Escherichia coli) | BDBM39819
(Amide and sulfonamide derivatives, 3)Show InChI InChI=1S/C11H13BN2O5S/c1-7-11(8(2)19-13-7)20(17,18)14-10-5-3-4-9(6-10)12(15)16/h3-6,14-16H,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39820
(Amide and sulfonamide derivatives, 4)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(11-12)18-27(23,24)16-10-9-15(25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM39856
(Amide and sulfonamide derivatives, 41)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1 Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-7-9-17(10-8-13)31(27,28)22-16-5-2-6-18(12-16)32(29,30)21-15-4-1-3-14(11-15)20(25)26/h1-12,21-22,25-26H,(H,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39850
(Amide and sulfonamide derivatives, 34)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)c1 Show InChI InChI=1S/C18H12BCl3N2O7S/c20-14-7-12(24(27)28)4-5-17(14)31-18-15(21)8-13(9-16(18)22)32(29,30)23-11-3-1-2-10(6-11)19(25)26/h1-9,23,25-26H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50115616
(3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39857
(Amide and sulfonamide derivatives, 42)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)cc2)c1 Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-4-8-17(9-5-13)31(27,28)21-15-6-10-18(11-7-15)32(29,30)22-16-3-1-2-14(12-16)20(25)26/h1-12,21-22,25-26H,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM39849
(Amide and sulfonamide derivatives, 33)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1 Show InChI InChI=1S/C18H18B2N2O8S2/c23-19(24)13-4-1-6-15(10-13)21-31(27,28)17-8-3-9-18(12-17)32(29,30)22-16-7-2-5-14(11-16)20(25)26/h1-12,21-26H | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39851
(Amide and sulfonamide derivatives, 35)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)c1 Show InChI InChI=1S/C20H17BN2O7S/c24-19(13-7-9-14(10-8-13)20(25)26)22-16-4-2-6-18(12-16)31(29,30)23-17-5-1-3-15(11-17)21(27)28/h1-12,23,27-28H,(H,22,24)(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39821
(Amide and sulfonamide derivatives, 5)Show SMILES CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)B(O)O Show InChI InChI=1S/C20H21BN4O4S/c1-25(2)19-10-6-16(7-11-19)22-23-17-8-12-20(13-9-17)30(28,29)24-18-5-3-4-15(14-18)21(26)27/h3-14,24,26-27H,1-2H3/b23-22+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39852
(Amide and sulfonamide derivatives, 36)Show InChI InChI=1S/C13H12BNO6S/c16-13(17)9-4-6-12(7-5-9)22(20,21)15-11-3-1-2-10(8-11)14(18)19/h1-8,15,18-19H,(H,16,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39822
(Amide and sulfonamide derivatives, 6)Show InChI InChI=1S/C15H13BN2O4S/c19-16(20)12-6-2-7-13(10-12)18-23(21,22)14-8-1-4-11-5-3-9-17-15(11)14/h1-10,18-20H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39846
(Amide and sulfonamide derivatives, 30)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(c(Cl)s2)N(=O)=O)c1 Show InChI InChI=1S/C10H8BClN2O6S2/c12-10-8(14(17)18)5-9(21-10)22(19,20)13-7-3-1-2-6(4-7)11(15)16/h1-5,13,15-16H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39823
(Amide and sulfonamide derivatives, 7)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C13H11BF3NO5S/c15-13(16,17)23-11-4-6-12(7-5-11)24(21,22)18-10-3-1-2-9(8-10)14(19)20/h1-8,18-20H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39854
(Amide and sulfonamide derivatives, 38)Show InChI InChI=1S/C12H11BN2O6S/c16-13(17)9-2-1-3-10(8-9)14-22(20,21)12-6-4-11(5-7-12)15(18)19/h1-8,14,16-17H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 770 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39824
(Amide and sulfonamide derivatives, 8)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2N(=O)=O)c1 Show InChI InChI=1S/C13H10BF3N2O7S/c15-13(16,17)26-10-4-5-12(11(7-10)19(22)23)27(24,25)18-9-3-1-2-8(6-9)14(20)21/h1-7,18,20-21H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39847
(Amide and sulfonamide derivatives, 31)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)c1 Show InChI InChI=1S/C18H16BClN2O5S2/c20-14-6-4-12(5-7-14)18(23)21-11-16-8-9-17(28-16)29(26,27)22-15-3-1-2-13(10-15)19(24)25/h1-10,22,24-25H,11H2,(H,21,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39853
(Amide and sulfonamide derivatives, 37)Show InChI InChI=1S/C12H11BN2O6S/c16-13(17)9-3-1-4-10(7-9)14-22(20,21)12-6-2-5-11(8-12)15(18)19/h1-8,14,16-17H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39848
(Amide and sulfonamide derivatives, 32)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)c1 Show InChI InChI=1S/C18H17BN2O5S2/c22-18(13-5-2-1-3-6-13)20-12-16-9-10-17(27-16)28(25,26)21-15-8-4-7-14(11-15)19(23)24/h1-11,21,23-24H,12H2,(H,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39855
(Amide and sulfonamide derivatives, 39)Show InChI InChI=1S/C12H13BN2O4S/c14-10-4-2-6-12(8-10)20(18,19)15-11-5-1-3-9(7-11)13(16)17/h1-8,15-17H,14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39825
(Amide and sulfonamide derivatives, 9)Show InChI InChI=1S/C16H14BNO4S/c19-17(20)13-7-4-8-14(11-13)18-23(21,22)16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18-20H | PDB
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39827
(Amide and sulfonamide derivatives, 12)Show InChI InChI=1S/C12H12BN3O4S2/c17-13(18)8-3-1-4-9(7-8)16-22(19,20)11-6-2-5-10-12(11)15-21-14-10/h1-7,14-18H | PDB
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39830
(Amide and sulfonamide derivatives, 11)Show InChI InChI=1S/C15H12BNO3S/c18-15(14-8-10-4-1-2-7-13(10)21-14)17-12-6-3-5-11(9-12)16(19)20/h1-9,19-20H,(H,17,18) | PDB
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39826
(Amide and sulfonamide derivatives, 10)Show InChI InChI=1S/C10H11BClN3O4S/c1-15-10(12)9(6-13-15)20(18,19)14-8-4-2-3-7(5-8)11(16)17/h2-6,14,16-17H,1H3 | PDB
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM39856
(Amide and sulfonamide derivatives, 41)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1 Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-7-9-17(10-8-13)31(27,28)22-16-5-2-6-18(12-16)32(29,30)21-15-4-1-3-14(11-15)20(25)26/h1-12,21-22,25-26H,(H,23,24) | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM39856
(Amide and sulfonamide derivatives, 41)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1 Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-7-9-17(10-8-13)31(27,28)22-16-5-2-6-18(12-16)32(29,30)21-15-4-1-3-14(11-15)20(25)26/h1-12,21-22,25-26H,(H,23,24) | PDB
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39828
(Amide and sulfonamide derivatives, 13)Show InChI InChI=1S/C14H11BF3NO3/c16-14(17,18)10-6-4-9(5-7-10)13(20)19-12-3-1-2-11(8-12)15(21)22/h1-8,21-22H,(H,19,20) | PDB
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM39849
(Amide and sulfonamide derivatives, 33)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1 Show InChI InChI=1S/C18H18B2N2O8S2/c23-19(24)13-4-1-6-15(10-13)21-31(27,28)17-8-3-9-18(12-17)32(29,30)22-16-7-2-5-14(11-16)20(25)26/h1-12,21-26H | PDB
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| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39831
(Amide and sulfonamide derivatives, 15)Show InChI InChI=1S/C11H9BN2O6/c15-11(9-4-5-10(20-9)14(18)19)13-8-3-1-2-7(6-8)12(16)17/h1-6,16-17H,(H,13,15) | PDB
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| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39829
(Amide and sulfonamide derivatives, 14)Show InChI InChI=1S/C17H14BNO3/c20-17(19-16-7-3-6-15(11-16)18(21)22)14-9-8-12-4-1-2-5-13(12)10-14/h1-11,21-22H,(H,19,20) | PDB
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| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39832
(Amide and sulfonamide derivatives, 16)Show InChI InChI=1S/C8H13BN2O4S/c1-11(2)16(14,15)10-8-5-3-4-7(6-8)9(12)13/h3-6,10,12-13H,1-2H3 | PDB
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| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50115616
(3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H | PDB
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| Article
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| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39833
(Amide and sulfonamide derivatives, 17)Show InChI InChI=1S/C8H9BClNO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12) | PDB
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| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50067906
((3-aminophenyl)boronic acid, 1 | 3-aminophenyl bor...)Show InChI InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2 | PDB
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| MMDB
PDB
Article
PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-lactamase TEM
(Escherichia coli) | BDBM39849
(Amide and sulfonamide derivatives, 33)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1 Show InChI InChI=1S/C18H18B2N2O8S2/c23-19(24)13-4-1-6-15(10-13)21-31(27,28)17-8-3-9-18(12-17)32(29,30)22-16-7-2-5-14(11-16)20(25)26/h1-12,21-26H | PDB
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| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39834
(Amide and sulfonamide derivatives, 18)Show InChI InChI=1S/C14H14BNO4/c17-14(20-10-11-5-2-1-3-6-11)16-13-8-4-7-12(9-13)15(18)19/h1-9,18-19H,10H2,(H,16,17) | PDB
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| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39835
(Amide and sulfonamide derivatives, 19)Show InChI InChI=1S/C14H11BN2O3/c16-9-10-3-1-4-11(7-10)14(18)17-13-6-2-5-12(8-13)15(19)20/h1-8,19-20H,(H,17,18) | PDB
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| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39836
(Amide and sulfonamide derivatives, 20)Show InChI InChI=1S/C13H11BN2O5/c17-13(9-4-6-12(7-5-9)16(20)21)15-11-3-1-2-10(8-11)14(18)19/h1-8,18-19H,(H,15,17) | PDB
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| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39837
(Amide and sulfonamide derivatives, 21)Show InChI InChI=1S/C13H11BN2O5/c17-13(9-3-1-6-12(7-9)16(20)21)15-11-5-2-4-10(8-11)14(18)19/h1-8,18-19H,(H,15,17) | PDB
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| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39839
(Amide and sulfonamide derivatives, 23)Show InChI InChI=1S/C14H11BF3NO3/c16-14(17,18)10-4-1-3-9(7-10)13(20)19-12-6-2-5-11(8-12)15(21)22/h1-8,21-22H,(H,19,20) | PDB
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| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39838
(Amide and sulfonamide derivatives, 22)Show InChI InChI=1S/C16H13BN2O3/c20-16(18-13-6-3-5-12(10-13)17(21)22)15-9-8-11-4-1-2-7-14(11)19-15/h1-10,21-22H,(H,18,20) | PDB
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| 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39840
(Amide and sulfonamide derivatives, 24)Show InChI InChI=1S/C13H11BN2O5S2/c17-14(18)9-2-1-3-10(8-9)16-23(19,20)13-5-4-12(22-13)11-6-7-21-15-11/h1-8,16-18H | PDB
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| 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39841
(Amide and sulfonamide derivatives, 25)Show InChI InChI=1S/C12H12BNO5S2/c1-8(15)12-11(5-6-20-12)21(18,19)14-10-4-2-3-9(7-10)13(16)17/h2-7,14,16-17H,1H3 | PDB
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| 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39842
(Amide and sulfonamide derivatives, 26)Show InChI InChI=1S/C14H14BNO4/c1-20-13-7-5-10(6-8-13)14(17)16-12-4-2-3-11(9-12)15(18)19/h2-9,18-19H,1H3,(H,16,17) | PDB
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| 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39843
(Amide and sulfonamide derivatives, 27)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)-c2cc(n(n2)C(F)(F)F)C(F)(F)F)c1 Show InChI InChI=1S/C15H10BF6N3O4S2/c17-14(18,19)12-7-10(23-25(12)15(20,21)22)11-4-5-13(30-11)31(28,29)24-9-3-1-2-8(6-9)16(26)27/h1-7,24,26-27H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39844
(Amide and sulfonamide derivatives, 28)Show InChI InChI=1S/C14H11BN2O3/c16-9-10-4-6-11(7-5-10)14(18)17-13-3-1-2-12(8-13)15(19)20/h1-8,19-20H,(H,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM39845
(Amide and sulfonamide derivatives, 29)Show InChI InChI=1S/C12H12BNO3S/c15-12(8-11-5-2-6-18-11)14-10-4-1-3-9(7-10)13(16)17/h1-7,16-17H,8H2,(H,14,15) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50115616
(3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...)Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 5.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University
| Assay Description
Inhibition assay against beta lactamase enzymes. |
Chem Biol 8: 593-611 (2001)
Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ |
More data for this
Ligand-Target Pair | |
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