Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'feigelson' and Initial = 'gb'   

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 TEM (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 |r| 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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099184 ((2S,5R,6R)-6-[1-(4-Amino-phenyl)-1H-[1,2,3]triazol...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(N)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H19N5O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7,18H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099190 ((2S,5R,6R)-6-[1-(4-Hydroxy-phenyl)-1H-[1,2,3]triaz...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(O)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O6S/c1-17(2)13(16(24)25)21-14(23)12(15(21)28(17,26)27)7-9-8-20(19-18-9)10-3-5-11(22)6-4-10/h3-6,8,12-13,15,22H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099192 ((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-phenyl-1...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O5S/c1-17(2)13(16(23)24)21-14(22)12(15(21)27(17,25)26)8-10-9-20(19-18-10)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8H2,1-2H3,(H,23,24)/t12-,13+,15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099184 ((2S,5R,6R)-6-[1-(4-Amino-phenyl)-1H-[1,2,3]triazol...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(N)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H19N5O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7,18H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099186 ((2S,5S)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...) Show SMILES COC(=O)\C=C\CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099193 ((2S,5R,6R)-6-[1-(4-Fluoro-phenyl)-1H-[1,2,3]triazo...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(F)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H17FN4O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099184 ((2S,5R,6R)-6-[1-(4-Amino-phenyl)-1H-[1,2,3]triazol...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(N)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H19N5O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7,18H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099190 ((2S,5R,6R)-6-[1-(4-Hydroxy-phenyl)-1H-[1,2,3]triaz...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(O)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O6S/c1-17(2)13(16(24)25)21-14(23)12(15(21)28(17,26)27)7-9-8-20(19-18-9)10-3-5-11(22)6-4-10/h3-6,8,12-13,15,22H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099190 ((2S,5R,6R)-6-[1-(4-Hydroxy-phenyl)-1H-[1,2,3]triaz...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(O)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O6S/c1-17(2)13(16(24)25)21-14(23)12(15(21)28(17,26)27)7-9-8-20(19-18-9)10-3-5-11(22)6-4-10/h3-6,8,12-13,15,22H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099186 ((2S,5S)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...) Show SMILES COC(=O)\C=C\CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099188 ((2S,5S)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...) Show SMILES CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3| Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099193 ((2S,5R,6R)-6-[1-(4-Fluoro-phenyl)-1H-[1,2,3]triazo...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(F)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H17FN4O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099191 ((2S,5S)-6-((E)-3-Cyano-allyl)-3,3-dimethyl-4,4,7-t...) Show SMILES CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H14N2O5S/c1-12(2)8(11(16)17)14-9(15)7(5-3-4-6-13)10(14)20(12,18)19/h3-4,7-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099192 ((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-phenyl-1...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O5S/c1-17(2)13(16(23)24)21-14(22)12(15(21)27(17,25)26)8-10-9-20(19-18-10)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8H2,1-2H3,(H,23,24)/t12-,13+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099193 ((2S,5R,6R)-6-[1-(4-Fluoro-phenyl)-1H-[1,2,3]triazo...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(F)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H17FN4O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099185 ((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-pyrrolid...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C16H23N5O5S/c1-16(2)12(15(23)24)21-13(22)11(14(21)27(16,25)26)6-10-8-20(19-18-10)7-9-4-3-5-17-9/h8-9,11-12,14,17H,3-7H2,1-2H3,(H,23,24)/t9?,11-,12+,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099188 ((2S,5S)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...) Show SMILES CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3| Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099194 ((2S,5R,6R)-6-{1-[2-Amino-3-(4-hydroxy-phenyl)-prop...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C20H25N5O6S/c1-20(2)16(19(28)29)25-17(27)15(18(25)32(20,30)31)8-13-10-24(23-22-13)9-12(21)7-11-3-5-14(26)6-4-11/h3-6,10,12,15-16,18,26H,7-9,21H2,1-2H3,(H,28,29)/t12?,15-,16+,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	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099185 ((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-pyrrolid...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C16H23N5O5S/c1-16(2)12(15(23)24)21-13(22)11(14(21)27(16,25)26)6-10-8-20(19-18-10)7-9-4-3-5-17-9/h8-9,11-12,14,17H,3-7H2,1-2H3,(H,23,24)/t9?,11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099195 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...) Show SMILES CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3| Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099189 ((2S,5R)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...) Show SMILES COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099196 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...) Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099187 ((2S,5R)-6-[(E)-3-(Methoxy-methyl-carbamoyl)-allyl]...) Show SMILES CON(C)C(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2=O)C1=O Show InChI InChI=1S/C14H20N2O6S/c1-14(2)10(13(19)20)16-11(18)8(12(16)23(14)21)6-5-7-9(17)15(3)22-4/h5,7-8,10,12H,6H2,1-4H3,(H,19,20)/b7-5+/t8?,10-,12+,23?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099194 ((2S,5R,6R)-6-{1-[2-Amino-3-(4-hydroxy-phenyl)-prop...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C20H25N5O6S/c1-20(2)16(19(28)29)25-17(27)15(18(25)32(20,30)31)8-13-10-24(23-22-13)9-12(21)7-11-3-5-14(26)6-4-11/h3-6,10,12,15-16,18,26H,7-9,21H2,1-2H3,(H,28,29)/t12?,15-,16+,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099187 ((2S,5R)-6-[(E)-3-(Methoxy-methyl-carbamoyl)-allyl]...) Show SMILES CON(C)C(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2=O)C1=O Show InChI InChI=1S/C14H20N2O6S/c1-14(2)10(13(19)20)16-11(18)8(12(16)23(14)21)6-5-7-9(17)15(3)22-4/h5,7-8,10,12H,6H2,1-4H3,(H,19,20)/b7-5+/t8?,10-,12+,23?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099196 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...) Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099185 ((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-pyrrolid...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C16H23N5O5S/c1-16(2)12(15(23)24)21-13(22)11(14(21)27(16,25)26)6-10-8-20(19-18-10)7-9-4-3-5-17-9/h8-9,11-12,14,17H,3-7H2,1-2H3,(H,23,24)/t9?,11-,12+,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50099191 ((2S,5S)-6-((E)-3-Cyano-allyl)-3,3-dimethyl-4,4,7-t...) Show SMILES CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H14N2O5S/c1-12(2)8(11(16)17)14-9(15)7(5-3-4-6-13)10(14)20(12,18)19/h3-4,7-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against TEM-1 enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099194 ((2S,5R,6R)-6-{1-[2-Amino-3-(4-hydroxy-phenyl)-prop...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C20H25N5O6S/c1-20(2)16(19(28)29)25-17(27)15(18(25)32(20,30)31)8-13-10-24(23-22-13)9-12(21)7-11-3-5-14(26)6-4-11/h3-6,10,12,15-16,18,26H,7-9,21H2,1-2H3,(H,28,29)/t12?,15-,16+,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099189 ((2S,5R)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...) Show SMILES COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099188 ((2S,5S)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...) Show SMILES CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3| Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (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 |r| 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 MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099186 ((2S,5S)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...) Show SMILES COC(=O)\C=C\CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099195 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...) Show SMILES CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3| Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099192 ((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-phenyl-1...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O5S/c1-17(2)13(16(23)24)21-14(22)12(15(21)27(17,25)26)8-10-9-20(19-18-10)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8H2,1-2H3,(H,23,24)/t12-,13+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	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 |r| 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099189 ((2S,5R)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...) Show SMILES COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099195 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...) Show SMILES CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3| Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11+/m0/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+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099196 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...) Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50099191 ((2S,5S)-6-((E)-3-Cyano-allyl)-3,3-dimethyl-4,4,7-t...) Show SMILES CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H14N2O5S/c1-12(2)8(11(16)17)14-9(15)7(5-3-4-6-13)10(14)20(12,18)19/h3-4,7-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10-/m0/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+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50099187 ((2S,5R)-6-[(E)-3-(Methoxy-methyl-carbamoyl)-allyl]...) Show SMILES CON(C)C(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2=O)C1=O Show InChI InChI=1S/C14H20N2O6S/c1-14(2)10(13(19)20)16-11(18)8(12(16)23(14)21)6-5-7-9(17)15(3)22-4/h5,7-8,10,12H,6H2,1-4H3,(H,19,20)/b7-5+/t8?,10-,12+,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against CCRA enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
					More data for this Ligand-Target Pair