Compile Data Set for Download or QSAR

Found 146 hits of ki for UniProtKB: P00811   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-lactamase (Escherichia coli)	BDBM50274047 (CHEMBL3613796) Show SMILES OB(O)CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1 Show InChI InChI=1S/C9H9BF3N5O4S/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)23(21,22)14-4-10(19)20/h1-3,14,19-20H,4H2,(H,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCL School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC using CENTA as substrate by spectrometry based Lineweaver-Burk plot analysis				Bioorg Med Chem 26: 2921-2927 (2018) Article DOI: 10.1016/j.bmc.2018.04.055 BindingDB Entry DOI: 10.7270/Q25T3P0V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Escherichia coli)	BDBM50115618 (2-[(2-Amino-thiazol-4-yl)-(dihydroxyboranylmethyl-...) Show SMILES CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C([O-])=O Show InChI InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/p-1/b15-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair
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)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Escherichia coli)	BDBM39812 (Acylglycineboronic acid, 10) Show SMILES CCOc1ccc2ccccc2c1C(=O)NCB(O)O 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)	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)	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)	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	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase				Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 SMILES Cc1noc(C)c1S(=O)(=O)Nc1cccc(c1)B(O)O 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 (Escherichia coli)	BDBM50115620 (3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole...) Show SMILES Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl 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)	BDBM50115620 (3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole...) Show SMILES Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl 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 PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Escherichia coli)	BDBM39814 (Acylglycineboronic acid, 13) Show SMILES OB(O)CNC(=O)CSc1ccncc1 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)	BDBM50067910 (4,4'-Bis-dihydroxyboranyl-biphenyl | 4,4'-biphenyl...) Show SMILES OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O Show InChI InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Escherichia coli)	BDBM50067910 (4,4'-Bis-dihydroxyboranyl-biphenyl | 4,4'-biphenyl...) Show SMILES OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O Show InChI InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 (Escherichia coli)	BDBM26140 (1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39813 (Acylglycineboronic acid, 12) Show SMILES OB(O)CNC(=O)CCl 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 SMILES CC(Oc1ccccc1)C(=O)NCB(O)O 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)	BDBM50149786 (Aza-boronic acid derivative | CHEMBL184695) Show SMILES OB(O)c1cccc(c1)N=Nc1c(O)ccc2ccccc12 |w:9.9| Show InChI InChI=1S/C16H13BN2O3/c20-15-9-8-11-4-1-2-7-14(11)16(15)19-18-13-6-3-5-12(10-13)17(21)22/h1-10,20-22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase				Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50115621 ((2-(thiophen-2-yl)acetamido)methylboronic acid | A...) Show SMILES OB(O)CNC(=O)Cc1cccs1 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 (Escherichia coli)	BDBM50115621 ((2-(thiophen-2-yl)acetamido)methylboronic acid | A...) Show SMILES OB(O)CNC(=O)Cc1cccs1 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 PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 (Escherichia coli)	BDBM50067891 (5-chlorothiophen-2-ylboronic acid | 5-chlorothiphe...) Show SMILES OB(O)c1ccc(Cl)s1 Show InChI InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					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)	BDBM50149784 (Aza-boronic acid derivative | CHEMBL180679) Show SMILES OB(O)c1cccc(c1)N=Nc1c(O)cc(O)c2ccccc12 |w:9.9| Show InChI InChI=1S/C16H13BN2O4/c20-14-9-15(21)16(13-7-2-1-6-12(13)14)19-18-11-5-3-4-10(8-11)17(22)23/h1-9,20-23H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase				Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50067911 (4-methylthiophene 2-boronic acid | CHEMBL334931) Show SMILES Cc1csc(c1)B(O)O Show InChI InChI=1S/C5H7BO2S/c1-4-2-5(6(7)8)9-3-4/h2-3,7-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					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)	BDBM39809 (Acylglycineboronic acid, 6) Show SMILES OB(O)CNC(=O)Cc1ccccc1 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)	BDBM39852 (Amide and sulfonamide derivatives, 36) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c1 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 SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1 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)	BDBM39810 (Acylglycineboronic acid, 7) Show SMILES OB(O)CNC(=O)COc1ccccc1 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)	BDBM50149788 (Aza-boronic acid derivative | CHEMBL182522) Show SMILES OB(O)c1cccc(c1)N=Nc1ccc(cc1O)N=Nc1c(O)cc(O)c2ccccc12 |w:18.19,9.9| Show InChI InChI=1S/C22H17BN4O5/c28-19-12-21(30)22(17-7-2-1-6-16(17)19)27-25-15-8-9-18(20(29)11-15)26-24-14-5-3-4-13(10-14)23(31)32/h1-12,28-32H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase				Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50149778 (Aza-boronic acid derivative | CHEMBL179782) Show SMILES OB(O)c1cccc(c1)N=Nc1ccc(O)cc1 |w:10.11| Show InChI InChI=1S/C12H11BN2O3/c16-12-6-4-10(5-7-12)14-15-11-3-1-2-9(8-11)13(17)18/h1-8,16-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase				Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39854 (Amide and sulfonamide derivatives, 38) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)N(=O)=O)c1 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)	BDBM50067907 (CHEMBL342173 | benzo[b]thiophene3-boronic acid) Show SMILES OB(O)c1csc2ccccc12 Show InChI InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					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 SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)N(=O)=O)c1 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)	BDBM50149785 (Aza-boronic acid derivative | CHEMBL184984) Show SMILES OB(O)c1cccc(c1)N=Nc1ccc(O)c2ccccc12 |w:9.9| Show InChI InChI=1S/C16H13BN2O3/c20-16-9-8-15(13-6-1-2-7-14(13)16)19-18-12-5-3-4-11(10-12)17(21)22/h1-10,20-22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase				Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50149787 (Aza-boronic acid derivative | CHEMBL366099) Show SMILES Cc1noc(C)c1\N=N\c1cccc(c1)B(O)O Show InChI InChI=1S/C11H12BN3O3/c1-7-11(8(2)18-15-7)14-13-10-5-3-4-9(6-10)12(16)17/h3-6,16-17H,1-2H3/b14-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase				Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50324682 (3-(N-(4-carboxy-2-hydroxyphenyl)sulfamoyl)thiophen...) Show SMILES OC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1O)C(O)=O Show InChI InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry				Nat Chem Biol 2: 720-3 (2006) Article DOI: 10.1038/nchembio831 BindingDB Entry DOI: 10.7270/Q2FN16DF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	BDBM26124 (CHEMBL336239 | Phenylboronic Acid, 3 | [3-(trifluo...) Show SMILES OB(O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair

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