Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'spevak' and Initial = 'p'   

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)	BDBM50021963 (CHEMBL33711 | Sodium; 3-(4-methoxycarbonyl-[1,2,3]...) Show SMILES COC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1 Show InChI InChI=1S/C13H15N3O7S/c1-13(5-16-4-6(14-15-16)12(20)23-2)10(11(18)19)9-7(17)3-8(9)24(13,21)22/h4,8-10H,3,5H2,1-2H3,(H,18,19)/p-1/t8?,9?,10-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021958 (CHEMBL33950 | Sodium; 3-(4-ethoxycarbonyl-[1,2,3]t...) Show SMILES CCOC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1 Show InChI InChI=1S/C14H17N3O7S/c1-3-24-13(21)7-5-17(16-15-7)6-14(2)11(12(19)20)10-8(18)4-9(10)25(14,22)23/h5,9-11H,3-4,6H2,1-2H3,(H,19,20)/p-1/t9?,10?,11-,14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50289135 ((S)-4-(Bis-methylsulfanyl-methylene)-7-methoxy-3-m...) Show SMILES [#6]-[#8]-[#6@@H]-1-[#6]2-[#7](-[#6]-1=O)-[#6](-[#6](=O)-[#8]C([#6])([#6])[#6])=[#6](-[#6])\[#6](=[#6](\[#16]-[#6])-[#16]-[#6])S2(=O)=O |t:15| Show InChI InChI=1S/C16H23NO6S3/c1-8-9(14(19)23-16(2,3)4)17-12(18)10(22-5)13(17)26(20,21)11(8)15(24-6)25-7/h10,13H,1-7H3/t10-,13?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human sputum elastase (HSE)				Bioorg Med Chem Lett 6: 823-826 (1996) Article DOI: 10.1016/0960-894X(96)00114-X BindingDB Entry DOI: 10.7270/Q2CV4HR7
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| 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 MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50021956 (CHEMBL285387 | Sodium; 3-methyl-2,2,6-trioxo-3-[1,...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C11H13N3O5S/c1-11(5-14-3-2-12-13-14)9(10(16)17)8-6(15)4-7(8)20(11,18)19/h2-3,7-9H,4-5H2,1H3,(H,16,17)/p-1/t7?,8?,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	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021960 (CHEMBL286323 | Sodium; 3-(5-methoxycarbonyl-[1,2,3...) Show SMILES COC(=O)c1cnnn1C[C@@]1(C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C13H15N3O7S/c1-13(5-16-6(4-14-15-16)12(20)23-2)10(11(18)19)9-7(17)3-8(9)24(13,21)22/h4,8-10H,3,5H2,1-2H3,(H,18,19)/p-1/t8?,9?,10-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021957 (CHEMBL284273 | Sodium; 3-(4,5-bis-methoxycarbonyl-...) Show SMILES COC(=O)c1nnn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)c1C(=O)OC Show InChI InChI=1S/C15H17N3O9S/c1-15(9(12(20)21)8-6(19)4-7(8)28(15,24)25)5-18-11(14(23)27-3)10(16-17-18)13(22)26-2/h7-9H,4-5H2,1-3H3,(H,20,21)/p-1/t7?,8?,9-,15-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50289134 ((S)-4-(5-Acetoxy-[1,3]dithian-2-ylidene)-7-methoxy...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(C)C(=C1SCC(CS1)OC(C)=O)S2(=O)=O |t:15| Show InChI InChI=1S/C19H25NO8S3/c1-9-12(17(23)28-19(3,4)5)20-15(22)13(26-6)16(20)31(24,25)14(9)18-29-7-11(8-30-18)27-10(2)21/h11,13,16H,7-8H2,1-6H3/b18-14-/t11?,13-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human sputum elastase (HSE)				Bioorg Med Chem Lett 6: 823-826 (1996) Article DOI: 10.1016/0960-894X(96)00114-X BindingDB Entry DOI: 10.7270/Q2CV4HR7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50289132 ((S)-4-(5-Hydroxy-[1,3]dithian-2-ylidene)-7-methoxy...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(C)C(=C1SCC(O)CS1)S2(=O)=O |wD:2.1,t:15,(5.56,-1.66,;5.16,-3.16,;6.26,-4.25,;7.8,-4.25,;7.8,-5.79,;6.26,-5.79,;5.18,-6.87,;9.13,-6.56,;9.13,-8.1,;7.8,-8.87,;10.46,-8.87,;10.46,-10.41,;10.46,-11.95,;11.79,-11.18,;9.13,-11.18,;10.46,-5.79,;11.79,-6.56,;10.46,-4.25,;11.79,-3.48,;11.81,-1.94,;13.14,-1.17,;14.45,-1.94,;15.78,-1.17,;14.47,-3.48,;13.12,-4.25,;9.13,-3.48,;7.79,-2.71,;10.22,-2.38,)| Show InChI InChI=1S/C17H23NO7S3/c1-8-10(15(21)25-17(2,3)4)18-13(20)11(24-5)14(18)28(22,23)12(8)16-26-6-9(19)7-27-16/h9,11,14,19H,6-7H2,1-5H3/b16-12-/t9?,11-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human sputum elastase (HSE)				Bioorg Med Chem Lett 6: 823-826 (1996) Article DOI: 10.1016/0960-894X(96)00114-X BindingDB Entry DOI: 10.7270/Q2CV4HR7
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021965 (CHEMBL35418 | Sodium; 3-(5-ethoxycarbonyl-[1,2,3]t...) Show SMILES CCOC(=O)c1cnnn1C[C@@]1(C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C14H17N3O7S/c1-3-24-13(21)7-5-15-16-17(7)6-14(2)11(12(19)20)10-8(18)4-9(10)25(14,22)23/h5,9-11H,3-4,6H2,1-2H3,(H,19,20)/p-1/t9?,10?,11-,14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50289133 ((S)-4-[1,3]Dithiolan-2-ylidene-7-methoxy-3-methyl-...) Show SMILES [#6]-[#8]-[#6@@H]-1-[#6]2-[#7](-[#6]-1=O)-[#6](-[#6](=O)-[#8]C([#6])([#6])[#6])=[#6](-[#6])\[#6](=[#6]-1\[#16]-[#6]-[#6]-[#16]-1)S2(=O)=O |t:15| Show InChI InChI=1S/C16H21NO6S3/c1-8-9(14(19)23-16(2,3)4)17-12(18)10(22-5)13(17)26(20,21)11(8)15-24-6-7-25-15/h10,13H,6-7H2,1-5H3/t10-,13?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human sputum elastase (HSE)				Bioorg Med Chem Lett 6: 823-826 (1996) Article DOI: 10.1016/0960-894X(96)00114-X BindingDB Entry DOI: 10.7270/Q2CV4HR7
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021964 (CHEMBL284828 | Sodium; 3-methyl-2,2,6-trioxo-3-(4-...) Show SMILES C[C@]1(Cn2cc(nn2)[Si](C)(C)C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C14H21N3O5SSi/c1-14(7-17-6-10(15-16-17)24(2,3)4)12(13(19)20)11-8(18)5-9(11)23(14,21)22/h6,9,11-12H,5,7H2,1-4H3,(H,19,20)/p-1/t9?,11?,12-,14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021961 (CHEMBL286829 | dipotassium 1-{[(3R,4S)-4-carboxyla...) Show SMILES C[C@]1(Cn2cc(nn2)C([O-])=O)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C12H13N3O7S/c1-12(4-15-3-5(10(17)18)13-14-15)9(11(19)20)8-6(16)2-7(8)23(12,21)22/h3,7-9H,2,4H2,1H3,(H,17,18)(H,19,20)/p-2/t7?,8?,9-,12-/m0/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
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021956 (CHEMBL285387 | Sodium; 3-methyl-2,2,6-trioxo-3-[1,...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C11H13N3O5S/c1-11(5-14-3-2-12-13-14)9(10(16)17)8-6(15)4-7(8)20(11,18)19/h2-3,7-9H,4-5H2,1H3,(H,16,17)/p-1/t7?,8?,9-,11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021956 (CHEMBL285387 | Sodium; 3-methyl-2,2,6-trioxo-3-[1,...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C11H13N3O5S/c1-11(5-14-3-2-12-13-14)9(10(16)17)8-6(15)4-7(8)20(11,18)19/h2-3,7-9H,4-5H2,1H3,(H,16,17)/p-1/t7?,8?,9-,11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021955 (3-(4-Amino-[1,2,3]triazol-1-ylmethyl)-3-methyl-2,2...) Show SMILES C[C@]1(Cn2cc(N)nn2)[C@@H](C2C(CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C11H14N4O5S/c1-11(4-15-3-7(12)13-14-15)9(10(17)18)8-5(16)2-6(8)21(11,19)20/h3,6,8-9H,2,4,12H2,1H3,(H,17,18)/t6?,8?,9-,11-/m0/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
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021962 (CHEMBL288566 | dipotassium 1-{[(3R,4S)-4-carboxyla...) Show SMILES C[C@]1(Cn2nncc2C([O-])=O)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C12H13N3O7S/c1-12(4-15-5(10(17)18)3-13-14-15)9(11(19)20)8-6(16)2-7(8)23(12,21)22/h3,7-9H,2,4H2,1H3,(H,17,18)(H,19,20)/p-2/t7?,8?,9-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50015927 ((S)-7-Methoxy-3-methyl-5,5,8-trioxo-5lambda*6*-thi...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(C)CS2(=O)=O |t:15| Show InChI InChI=1S/C13H19NO6S/c1-7-6-21(17,18)11-9(19-5)10(15)14(11)8(7)12(16)20-13(2,3)4/h9,11H,6H2,1-5H3/t9-,11?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human sputum elastase (HSE)				Bioorg Med Chem Lett 6: 823-826 (1996) Article DOI: 10.1016/0960-894X(96)00114-X BindingDB Entry DOI: 10.7270/Q2CV4HR7
					More data for this Ligand-Target Pair
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from E. coli OXA1 using ampicillin (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50021956 (CHEMBL285387 | Sodium; 3-methyl-2,2,6-trioxo-3-[1,...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C11H13N3O5S/c1-11(5-14-3-2-12-13-14)9(10(16)17)8-6(15)4-7(8)20(11,18)19/h2-3,7-9H,4-5H2,1H3,(H,16,17)/p-1/t7?,8?,9-,11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from E. coli OXA1 using ampicillin (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	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	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from E. coli TEM2 using penicillin G (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (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 |r| 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 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	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from E. coli TEM2 using penicillin G (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from E. coli OXA1 using ampicillin (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					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	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from E. coli TEM2 using penicillin G (40 uM) as a substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair