Compile Data Set for Download or QSAR

Found 477 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase AmpC'   

Target (Institution)	Ligand	Target 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 AmpC (Escherichia coli)	BDBM50067047 (CHEMBL341484 | Sodium; (1S,5R)-2-[2-(2,6-dimethyl-...) Show SMILES Cc1nn(C)c(SCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)nc1=O Show InChI InChI=1S/C12H15N5O6S2/c1-6-10(19)13-12(15(2)14-6)24-5-8(18)16-4-3-7-9(16)11(20)17(7)25(21,22)23/h7,9H,3-5H2,1-2H3,(H,21,22,23)/p-1/t7-,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067063 (CHEMBL339600 | Sodium; (1S,5R)-2-(4-carbamoyl-phen...) Show SMILES NC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O6S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067046 (CHEMBL340423 | Sodium; (1S,5R)-2-benzyloxycarbonyl...) Show SMILES [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C13H14N2O6S/c16-12-11-10(15(12)22(18,19)20)6-7-14(11)13(17)21-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,19,20)/p-1/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067052 (CHEMBL129226 | Sodium; (1S,5R)-2-[2-(1-methyl-1H-i...) Show SMILES Cn1ccnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-13-5-3-12-11(13)21-6-8(16)14-4-2-7-9(14)10(17)15(7)22(18,19)20/h3,5,7,9H,2,4,6H2,1H3,(H,18,19,20)/p-1/t7-,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067064 (CHEMBL129090 | Sodium; (1S,5R)-7-oxo-2-((S)-2-oxo-...) Show SMILES [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCNC1=O Show InChI InChI=1S/C10H14N4O6S/c15-8-5(1-3-11-8)12-10(17)13-4-2-6-7(13)9(16)14(6)21(18,19)20/h5-7H,1-4H2,(H,11,15)(H,12,17)(H,18,19,20)/p-1/t5-,6+,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067048 (CHEMBL129651 | Sodium; (1S,5R)-2-[2-(4-methyl-4H-[...) Show SMILES Cn1cnnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-13-5-11-12-10(13)21-4-7(16)14-3-2-6-8(14)9(17)15(6)22(18,19)20/h5-6,8H,2-4H2,1H3,(H,18,19,20)/p-1/t6-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067061 (CHEMBL341496 | Sodium; (1S,5R)-2-[2-(1-methyl-1H-t...) Show SMILES Cn1nnnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C9H12N6O5S2/c1-13-9(10-11-12-13)21-4-6(16)14-3-2-5-7(14)8(17)15(5)22(18,19)20/h5,7H,2-4H2,1H3,(H,18,19,20)/p-1/t5-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067057 (CHEMBL340937 | Sodium; (1S,5R)-2-((E)-3-1H-imidazo...) Show SMILES [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)C=Cc1cnc[nH]1 Show InChI InChI=1S/C11H12N4O5S/c16-9(2-1-7-5-12-6-13-7)14-4-3-8-10(14)11(17)15(8)21(18,19)20/h1-2,5-6,8,10H,3-4H2,(H,12,13)(H,18,19,20)/p-1/t8-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067051 (CHEMBL130187 | Sodium; (1S,5R)-7-oxo-2-(4-ureido-p...) Show SMILES NC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H15N5O6S/c14-12(20)15-7-1-3-8(4-2-7)16-13(21)17-6-5-9-10(17)11(19)18(9)25(22,23)24/h1-4,9-10H,5-6H2,(H,16,21)(H3,14,15,20)(H,22,23,24)/p-1/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50149466 (CHEMBL124416 | Sodium; (R)-6-[1-(5,6-dihydro-4H-py...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 Show InChI InChI=1S/C13H11N3O3S/c17-11-9(12-16(11)10(6-20-12)13(18)19)5-7-4-8-2-1-3-15(8)14-7/h4-6,12H,1-3H2,(H,18,19)/p-1/b9-5-/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Class C (Amp-C) beta-Lactamases				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50149467 ((5R,6Z)-6-(6,7-dihydro-5H-cyclopenta-[d]imidazo[2,...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 Show InChI InChI=1S/C15H11N3O3S2/c19-12-8(13-18(12)10(6-22-13)14(20)21)4-7-5-17-9-2-1-3-11(9)23-15(17)16-7/h4-6,13H,1-3H2,(H,20,21)/p-1/b8-4-/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Class C (Amp-C) beta-Lactamases				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067058 (CHEMBL338157 | Sodium; (1S,5R)-2-(3-carbamoyl-phen...) Show SMILES NC(=O)c1cccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1 Show InChI InChI=1S/C13H14N4O6S/c14-11(18)7-2-1-3-8(6-7)15-13(20)16-5-4-9-10(16)12(19)17(9)24(21,22)23/h1-3,6,9-10H,4-5H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50149468 (CHEMBL263746 | Sodium; (R)-6-[1-(5,6-dihydro-8H-im...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2COCCn12 Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-14-10-5-20-2-1-15(7)10/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Class C (Amp-C) beta-Lactamases				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50149469 (CHEMBL331090 | Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tet...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-4-15-10-5-14-1-2-16(7)10/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b8-3-/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Class C (Amp-C) beta-Lactamases				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114518 (CHEMBL297805 | Sodium; (R)-3-methanesulfonyl-5,5,8...) Show SMILES CS(=O)(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O Show InChI InChI=1S/C14H12N2O7S2/c1-24(20,21)10-7-25(22,23)13-9(6-8-4-2-3-5-15-8)12(17)16(13)11(10)14(18)19/h2-6,13H,7H2,1H3,(H,18,19)/p-1/b9-6-/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114514 (CHEMBL44932 | Sodium; (R)-3-[(E)-2-(2-guanidino-et...) Show SMILES NC(=N)NCCNC(=O)C=CC1=C(N2[C@@H](C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O Show InChI InChI=1S/C19H20N6O6S/c20-19(21)24-8-7-23-14(26)5-4-11-10-32(30,31)17-13(9-12-3-1-2-6-22-12)16(27)25(17)15(11)18(28)29/h1-6,9,17H,7-8,10H2,(H,23,26)(H,28,29)(H4,20,21,24)/p-1/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114516 (CHEMBL295322 | Sodium; (R)-3-benzenesulfonyl-5,5,8...) Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H14N2O7S2/c22-17-14(10-12-6-4-5-9-20-12)18-21(17)16(19(23)24)15(11-29(18,25)26)30(27,28)13-7-2-1-3-8-13/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114521 (CHEMBL42528 | Sodium; (R)-5,5,8-trioxo-3-phenylsul...) Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)Sc1ccccc1 Show InChI InChI=1S/C19H14N2O5S2/c22-17-14(10-12-6-4-5-9-20-12)18-21(17)16(19(23)24)15(11-28(18,25)26)27-13-7-2-1-3-8-13/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) 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)/b4-1-/t6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) 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)/b4-1-/t6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067053 (CHEMBL127782 | Sodium; (1S,5R)-2-benzyloxycarbonyl...) Show SMILES NC(=O)\C=C1/CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H15N3O7S/c16-11(19)6-10-7-17(13-12(10)18(14(13)20)26(22,23)24)15(21)25-8-9-4-2-1-3-5-9/h1-6,12-13H,7-8H2,(H2,16,19)(H,22,23,24)/p-1/b10-6+/t12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067053 (CHEMBL127782 | Sodium; (1S,5R)-2-benzyloxycarbonyl...) Show SMILES NC(=O)\C=C1/CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H15N3O7S/c16-11(19)6-10-7-17(13-12(10)18(14(13)20)26(22,23)24)15(21)25-8-9-4-2-1-3-5-9/h1-6,12-13H,7-8H2,(H2,16,19)(H,22,23,24)/p-1/b10-6+/t12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50067066 (CHEMBL340707 | Sodium; (1S,4R,5S)-2-benzyloxycarbo...) Show SMILES Cn1nnnc1S[C@@H]1CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H16N6O6S2/c1-19-14(16-17-18-19)28-10-7-20(12-11(10)21(13(12)22)29(24,25)26)15(23)27-8-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,24,25,26)/p-1/t10-,11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114515 (CHEMBL416447 | Sodium; (R)-3-[(E)-3-(4-methyl-pipe...) Show SMILES CN1CCN(CC1)C(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O Show InChI InChI=1S/C21H22N4O6S/c1-23-8-10-24(11-9-23)17(26)6-5-14-13-32(30,31)20-16(12-15-4-2-3-7-22-15)19(27)25(20)18(14)21(28)29/h2-7,12,20H,8-11,13H2,1H3,(H,28,29)/p-1/b6-5+,16-12-/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50076671 ((4R,6S)-3-{(2R,3R)-2-[((S)-1-Carboxy-2-methyl-prop...) Show SMILES CC(C)[C@H](NC[C@H]1OCC[C@H]1SC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O)C(O)=O Show InChI InChI=1S/C20H30N2O7S/c1-8(2)14(19(25)26)21-7-11-12(5-6-29-11)30-17-9(3)15-13(10(4)23)18(24)22(15)16(17)20(27)28/h8-15,21,23H,5-7H2,1-4H3,(H,25,26)(H,27,28)/t9-,10-,11-,12-,13-,14+,15?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 991-6 (1999)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114524 (CHEMBL47198 | Sodium; (R)-3-[(E)-2-(2-hydroxy-ethy...) Show SMILES OCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O Show InChI InChI=1S/C18H17N3O7S/c22-8-7-20-14(23)5-4-11-10-29(27,28)17-13(9-12-3-1-2-6-19-12)16(24)21(17)15(11)18(25)26/h1-6,9,17,22H,7-8,10H2,(H,20,23)(H,25,26)/p-1/b5-4+,13-9-/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	70.1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50149467 ((5R,6Z)-6-(6,7-dihydro-5H-cyclopenta-[d]imidazo[2,...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 Show InChI InChI=1S/C15H11N3O3S2/c19-12-8(13-18(12)10(6-22-13)14(20)21)4-7-5-17-9-2-1-3-11(9)23-15(17)16-7/h4-6,13H,1-3H2,(H,20,21)/p-1/b8-4-/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114513 (CHEMBL44813 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...) Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCC(F)(F)F Show InChI InChI=1S/C18H14F3N3O6S/c19-18(20,21)9-23-13(25)5-4-10-8-31(29,30)16-12(7-11-3-1-2-6-22-11)15(26)24(16)14(10)17(27)28/h1-7,16H,8-9H2,(H,23,25)(H,27,28)/p-1/b5-4+,12-7-/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM178203 (US9120808, Example 34) Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O Show InChI InChI=1S/C18H17NO6/c1-24-18(23)15-16(25-14-10-13(20)19(14)15)12(17(21)22)9-5-8-11-6-3-2-4-7-11/h2-8,14-15H,9-10H2,1H3,(H,21,22)/b8-5+,16-12-/t14-,15?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	88.4	n/a	n/a	n/a	n/a	n/a	n/a
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50140673 ((2S,5R,6S)-6-Mercaptomethyl-3,3-dimethyl-7-oxo-4-t...) Show SMILES CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C9H13NO3S2/c1-9(2)5(8(12)13)10-6(11)4(3-14)7(10)15-9/h4-5,7,14H,3H2,1-2H3,(H,12,13)/t4-,5+,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme				Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114506 (CHEMBL44278 | Sodium; (R)-3-[(E)-2-(4-hydroxy-phen...) Show SMILES Oc1ccc(NC(=O)\C=C\C2=C(N3[C@@H](\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1 Show InChI InChI=1S/C22H17N3O7S/c26-16-7-5-14(6-8-16)24-18(27)9-4-13-12-33(31,32)21-17(11-15-3-1-2-10-23-15)20(28)25(21)19(13)22(29)30/h1-11,21,26H,12H2,(H,24,27)(H,29,30)/p-1/b9-4+,17-11-/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50076673 (CHEMBL175189 | Sodium; (2S,5R,6R)-6-((S)-1-hydroxy...) Show SMILES C[C@H](O)[C@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C10H15NO6S/c1-4(12)5-7(13)11-6(9(14)15)10(2,3)18(16,17)8(5)11/h4-6,8,12H,1-3H3,(H,14,15)/p-1/t4-,5+,6-,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 991-6 (1999)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM178165 (US9120808, Mixture of Example 43 and Example 44) Show SMILES COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O Show InChI InChI=1/C12H12INO6/c1-18-12(17)9-10(20-8-3-7(15)14(8)9)6-2-5(4-13)19-11(6)16/h5,8-9H,2-4H2,1H3/b10-6+/t5?,8-,9?/s2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (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 MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	MMDB PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against AmpC beta-lactamase				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50403733 (CHEMBL1206880 | CL-191121) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CCO[C@@H]3CN)=C(N2C1=O)C(O)=O Show InChI InChI=1S/C15H22N2O5S/c1-6-11-10(7(2)18)14(19)17(11)12(15(20)21)13(6)23-9-3-4-22-8(9)5-16/h6-11,18H,3-5,16H2,1-2H3,(H,20,21)/t6-,7-,8-,9-,10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 991-6 (1999)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (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 MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against beta-lactamase				J Med Chem 45: 1712-22 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (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 MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against beta-lactamase in the presence of 50 mM KPi concentration of buffer				J Med Chem 45: 1712-22 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (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 MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of buffer				J Med Chem 45: 1712-22 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (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 MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Amp C beta-Lactamase				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50114507 (CHEMBL43955 | Sodium; (R)-3-((E)-2-cyclopropylcarb...) Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NC1CC1 Show InChI InChI=1S/C19H17N3O6S/c23-15(21-12-5-6-12)7-4-11-10-29(27,28)18-14(9-13-3-1-2-8-20-13)17(24)22(18)16(11)19(25)26/h1-4,7-9,12,18H,5-6,10H2,(H,21,23)(H,25,26)/p-1/b7-4+,14-9-/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50114501 (CHEMBL289979 | Sodium; (R)-3-((E)-2-carbamoyl-viny...) Show SMILES NC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O Show InChI InChI=1S/C16H13N3O6S/c17-12(20)5-4-9-8-26(24,25)15-11(7-10-3-1-2-6-18-10)14(21)19(15)13(9)16(22)23/h1-7,15H,8H2,(H2,17,20)(H,22,23)/p-1/b5-4+,11-7-/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against class A TEM-1 beta-lactamase				Bioorg Med Chem Lett 12: 1663-6 (2002)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50076681 (CHEMBL6469 | Sodium; (2S,3S,5R,6R)-3-((Z)-2-cyano-...) Show SMILES C[C@]1(\C=C/C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C11H12N2O6S/c1-11(3-2-4-12)7(10(16)17)13-8(15)6(5-14)9(13)20(11,18)19/h2-3,6-7,9,14H,5H2,1H3,(H,16,17)/p-1/b3-2-/t6-,7+,9-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 997-1002 (1999)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50076682 (CHEMBL6678 | Sodium; (2S,3S,5R,6R)-6-hydroxymethyl...) Show SMILES CO\N=C\[C@@]1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C10H14N2O7S/c1-10(4-11-19-2)6(9(15)16)12-7(14)5(3-13)8(12)20(10,17)18/h4-6,8,13H,3H2,1-2H3,(H,15,16)/p-1/b11-4+/t5-,6+,8-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 997-1002 (1999)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50076679 (CHEMBL269471 | Sodium; (2S,3S,5R,6R)-3-((E)-2-cyan...) Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C11H12N2O6S/c1-11(3-2-4-12)7(10(16)17)13-8(15)6(5-14)9(13)20(11,18)19/h2-3,6-7,9,14H,5H2,1H3,(H,16,17)/p-1/b3-2+/t6-,7+,9-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 997-1002 (1999)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM178163 (US9120808, Example 41 | US9120808, Example 42) Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 Show InChI InChI=1/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/b16-12+/t11?,14-,15?/s2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	285	n/a	n/a	n/a	n/a	n/a	n/a
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (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 MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	MMDB PDB PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against beta-lactamase in the presence of 500 mMKPi concentration of buffer				J Med Chem 45: 1712-22 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM178167 (US9120808, Example 46 | US9120808, Example 47) Show SMILES CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 Show InChI InChI=1/C18H17NO6/c1-10-7-12(17(21)24-10)16-15(19-13(20)8-14(19)25-16)18(22)23-9-11-5-3-2-4-6-11/h2-6,10,14-15H,7-9H2,1H3/b16-12+/t10?,14-,15?/s2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM178169 (US9120808, Example 48) Show SMILES [N-]=[N+]=NCC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 Show InChI InChI=1/C18H16N4O6/c19-21-20-8-11-6-12(17(24)27-11)16-15(22-13(23)7-14(22)28-16)18(25)26-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/b16-12+/t11?,14-,15?/s2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars AffyNet	US Patent	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015)
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50076683 (CHEMBL6533 | Sodium; (2S,3S,5R,6R)-6-hydroxymethyl...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C11H14N4O6S/c1-11(5-14-3-2-12-13-14)7(10(18)19)15-8(17)6(4-16)9(15)22(11,20)21/h2-3,6-7,9,16H,4-5H2,1H3,(H,18,19)/p-1/t6-,7+,9-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 997-1002 (1999)
					More data for this Ligand-Target Pair

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