Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'epstein-toney' and Initial = 'jh'   

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)	BDBM50081042 ((R)-3-Dibenzofuran-2-yl-2-mercapto-propionic acid ...) Show SMILES OC(=O)[C@H](S)Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C15H12O3S/c16-15(17)14(19)8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)18-13/h1-7,14,19H,8H2,(H,16,17)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081013 ((R)-2-Benzoylsulfanyl-3-biphenyl-4-yl-propionic ac...) Show SMILES OC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)SC(=O)c1ccccc1 Show InChI InChI=1S/C22H18O3S/c23-21(24)20(26-22(25)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-14,20H,15H2,(H,23,24)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081025 ((R)-2-Benzoylsulfanyl-3-dibenzofuran-2-yl-propioni...) Show SMILES OC(=O)[C@@H](Cc1ccc2oc3ccccc3c2c1)SC(=O)c1ccccc1 Show InChI InChI=1S/C22H16O4S/c23-21(24)20(27-22(25)15-6-2-1-3-7-15)13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)26-19/h1-12,20H,13H2,(H,23,24)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081065 ((R)-2-Acetylsulfanyl-3-dibenzofuran-2-yl-propionic...) Show SMILES CC(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O Show InChI InChI=1S/C17H14O4S/c1-10(18)22-16(17(19)20)9-11-6-7-15-13(8-11)12-4-2-3-5-14(12)21-15/h2-8,16H,9H2,1H3,(H,19,20)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081018 ((R)-2-((R)-2-Benzoylamino-propionylsulfanyl)-3-dib...) Show SMILES C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O Show InChI InChI=1S/C25H21NO5S/c1-15(26-23(27)17-7-3-2-4-8-17)25(30)32-22(24(28)29)14-16-11-12-21-19(13-16)18-9-5-6-10-20(18)31-21/h2-13,15,22H,14H2,1H3,(H,26,27)(H,28,29)/t15-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081016 ((R)-2-Mercapto-3-phenyl-propionic acid | CHEMBL876...) Show SMILES OC(=O)[C@H](S)Cc1ccccc1 Show InChI InChI=1S/C9H10O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,11)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081056 ((R)-3-Biphenyl-4-yl-2-mercapto-propionic acid | CH...) Show SMILES OC(=O)[C@H](S)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H14O2S/c16-15(17)14(18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,16,17)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081044 ((R)-2-Acetylsulfanyl-3-biphenyl-4-yl-propionic aci...) Show SMILES CC(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C17H16O3S/c1-12(18)21-16(17(19)20)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,19,20)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081040 ((R)-3-Biphenyl-4-yl-2-[(R)-2-(2-phenoxy-acetylamin...) Show SMILES C[C@@H](NC(=O)COc1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C26H25NO5S/c1-18(27-24(28)17-32-22-10-6-3-7-11-22)26(31)33-23(25(29)30)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23H,16-17H2,1H3,(H,27,28)(H,29,30)/t18-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081038 ((R)-2-((R)-2-Acetylamino-propionylsulfanyl)-3-dibe...) Show SMILES C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O Show InChI InChI=1S/C20H19NO5S/c1-11(21-12(2)22)20(25)27-18(19(23)24)10-13-7-8-17-15(9-13)14-5-3-4-6-16(14)26-17/h3-9,11,18H,10H2,1-2H3,(H,21,22)(H,23,24)/t11-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081035 (((R)-2-Benzoylamino-propionylsulfanyl)-acetic acid...) Show SMILES C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(O)=O Show InChI InChI=1S/C12H13NO4S/c1-8(12(17)18-7-10(14)15)13-11(16)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081030 ((R)-2-((R)-2-Allyloxycarbonylamino-propionylsulfan...) Show SMILES C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H19NO5S/c1-3-9-22-16(21)17-11(2)15(20)23-13(14(18)19)10-12-7-5-4-6-8-12/h3-8,11,13H,1,9-10H2,2H3,(H,17,21)(H,18,19)/t11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081017 ((R)-2-Acetylsulfanyl-3-phenyl-propionic acid | CHE...) Show SMILES CC(=O)S[C@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O3S/c1-8(12)15-10(11(13)14)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081020 ((R)-2-((R)-2-Allyloxycarbonylamino-propionylsulfan...) Show SMILES C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C22H23NO5S/c1-3-13-28-22(27)23-15(2)21(26)29-19(20(24)25)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h3-12,15,19H,1,13-14H2,2H3,(H,23,27)(H,24,25)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081019 ((R)-2-((R)-2-Acetylamino-propionylsulfanyl)-3-biph...) Show SMILES C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H21NO4S/c1-13(21-14(2)22)20(25)26-18(19(23)24)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,21,22)(H,23,24)/t13-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081064 ((R)-2-((R)-2-Benzoylamino-propionylsulfanyl)-3-bip...) Show SMILES C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C25H23NO4S/c1-17(26-23(27)21-10-6-3-7-11-21)25(30)31-22(24(28)29)16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15,17,22H,16H2,1H3,(H,26,27)(H,28,29)/t17-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081047 ((R)-2-((R)-2-Benzoylamino-propionylsulfanyl)-3-phe...) Show SMILES C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C19H19NO4S/c1-13(20-17(21)15-10-6-3-7-11-15)19(24)25-16(18(22)23)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,20,21)(H,22,23)/t13-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081027 ((R)-2-((R)-2-Acetylamino-propionylsulfanyl)-3-phen...) Show SMILES C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C14H17NO4S/c1-9(15-10(2)16)14(19)20-12(13(17)18)8-11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081057 ((R)-2-Benzoylsulfanyl-3-phenyl-propionic acid | CH...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)SC(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3S/c17-15(18)14(11-12-7-3-1-4-8-12)20-16(19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081049 ((R)-3-Biphenyl-4-yl-2-((R)-2-isobutyrylamino-propi...) Show SMILES CC(C)C(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C22H25NO4S/c1-14(2)20(24)23-15(3)22(27)28-19(21(25)26)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19H,13H2,1-3H3,(H,23,24)(H,25,26)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081053 ((R)-3-Biphenyl-4-yl-2-((R)-2-phenylacetylamino-pro...) Show SMILES C[C@@H](NC(=O)Cc1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C26H25NO4S/c1-18(27-24(28)17-19-8-4-2-5-9-19)26(31)32-23(25(29)30)16-20-12-14-22(15-13-20)21-10-6-3-7-11-21/h2-15,18,23H,16-17H2,1H3,(H,27,28)(H,29,30)/t18-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081026 ((R)-2-((R)-2-Allyloxycarbonylamino-propionylsulfan...) Show SMILES C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O Show InChI InChI=1S/C22H21NO6S/c1-3-10-28-22(27)23-13(2)21(26)30-19(20(24)25)12-14-8-9-18-16(11-14)15-6-4-5-7-17(15)29-18/h3-9,11,13,19H,1,10,12H2,2H3,(H,23,27)(H,24,25)/t13-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081037 ((R)-3-Biphenyl-4-yl-2-((R)-2-propionylamino-propio...) Show SMILES CCC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H23NO4S/c1-3-19(23)22-14(2)21(26)27-18(20(24)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081050 ((R)-3-Biphenyl-4-yl-2-[(R)-2-(2-naphthalen-1-yl-ac...) Show SMILES C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C30H27NO4S/c1-20(31-28(32)19-25-12-7-11-24-10-5-6-13-26(24)25)30(35)36-27(29(33)34)18-21-14-16-23(17-15-21)22-8-3-2-4-9-22/h2-17,20,27H,18-19H2,1H3,(H,31,32)(H,33,34)/t20-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50081034 (CHEMBL315231 | N-[(R)-1-((R)-2-Biphenyl-4-yl-1-car...) Show SMILES C[C@@H](NC(=O)CCC(O)=O)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C22H23NO6S/c1-14(23-19(24)11-12-20(25)26)22(29)30-18(21(27)28)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair