Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50036660   

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 (Enterobacter cloacae)	BDBM50067069 (CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...) Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067069 (CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...) Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067070 (CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...) Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067069 (CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...) Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067070 (CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...) Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067068 ((2S,5R)-2-(4-Carbamoyl-phenylcarbamoyl)-7-oxo-2,6-...) Show SMILES NC(=O)c1ccc(NC(=O)N2CC[C@@H]3C2C(=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)/t9-,10?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067070 (CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...) Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Escherichia coli TEM-3 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067068 ((2S,5R)-2-(4-Carbamoyl-phenylcarbamoyl)-7-oxo-2,6-...) Show SMILES NC(=O)c1ccc(NC(=O)N2CC[C@@H]3C2C(=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)/t9-,10?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067071 ((2S,5R)-7-Oxo-6-sulfo-2,6-diaza-bicyclo[3.2.0]hept...) Show SMILES CC(C)(C)OC(=O)N1CC[C@@H]2C1C(=O)N2S(O)(=O)=O Show InChI InChI=1S/C10H16N2O6S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/t6-,7?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067071 ((2S,5R)-7-Oxo-6-sulfo-2,6-diaza-bicyclo[3.2.0]hept...) Show SMILES CC(C)(C)OC(=O)N1CC[C@@H]2C1C(=O)N2S(O)(=O)=O Show InChI InChI=1S/C10H16N2O6S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/t6-,7?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067067 (6-Benzyloxycarbonylmethoxy-7-oxo-2,6-diaza-bicyclo...) Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OCC(=O)OCc1ccccc1 Show InChI InChI=1S/C19H24N2O6/c1-19(2,3)27-18(24)20-10-9-14-16(20)17(23)21(14)26-12-15(22)25-11-13-7-5-4-6-8-13/h4-8,14,16H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067067 (6-Benzyloxycarbonylmethoxy-7-oxo-2,6-diaza-bicyclo...) Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OCC(=O)OCc1ccccc1 Show InChI InChI=1S/C19H24N2O6/c1-19(2,3)27-18(24)20-10-9-14-16(20)17(23)21(14)26-12-15(22)25-11-13-7-5-4-6-8-13/h4-8,14,16H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067067 (6-Benzyloxycarbonylmethoxy-7-oxo-2,6-diaza-bicyclo...) Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OCC(=O)OCc1ccccc1 Show InChI InChI=1S/C19H24N2O6/c1-19(2,3)27-18(24)20-10-9-14-16(20)17(23)21(14)26-12-15(22)25-11-13-7-5-4-6-8-13/h4-8,14,16H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition beta-lactamase of Escherichia coli TEM-3 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067071 ((2S,5R)-7-Oxo-6-sulfo-2,6-diaza-bicyclo[3.2.0]hept...) Show SMILES CC(C)(C)OC(=O)N1CC[C@@H]2C1C(=O)N2S(O)(=O)=O Show InChI InChI=1S/C10H16N2O6S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/t6-,7?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Escherichia coli TEM-3 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067068 ((2S,5R)-2-(4-Carbamoyl-phenylcarbamoyl)-7-oxo-2,6-...) Show SMILES NC(=O)c1ccc(NC(=O)N2CC[C@@H]3C2C(=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)/t9-,10?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Escherichia coli TEM-3 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair