Compile Data Set for Download or QSAR

Found 426 hits with Last Name = 'petersen' and Initial = 'pj'   

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)	BDBM50191378 (CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imi...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O5S2/c17-11-9(12-16(11)10(5-22-12)13(18)19)4-7-3-8-6-23(20,21)2-1-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191389 (6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191379 ((5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191379 ((5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (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 |t:3| 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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50079694 (CHEMBL294608 | Sodium; (2S,3R)-3-methyl-4,4,7-trio...) Show SMILES C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C22H20N2O7S/c1-22(13-31-17(25)11-14-7-3-2-4-8-14)18(21(27)28)24-19(26)16(20(24)32(22,29)30)12-15-9-5-6-10-23-15/h2-10,12,18,20H,11,13H2,1H3,(H,27,28)/p-1/b16-12-/t18-,20?,22-/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	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus				Bioorg Med Chem Lett 9: 1997-2002 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60RF
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50157689 ((5R,6Z)-6-(imidazo[2,1-b][1,3]benzothiazol-2-ylmet...) Show SMILES [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1ccccc21 |r,t:4| Show InChI InChI=1S/C16H9N3O3S2.Na/c20-13-9(14-19(13)11(7-23-14)15(21)22)5-8-6-18-10-3-1-2-4-12(10)24-16(18)17-8;/h1-7,14H,(H,21,22);/q;+1/p-1/b9-5-;/t14-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50157688 ((5R,6Z)-6-[(7-methylimidazo[2,1-b][1,3]-benzothiaz...) Show SMILES Cc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16| Show InChI InChI=1S/C17H11N3O3S2.Na/c1-8-2-3-11-13(4-8)25-17-18-9(6-19(11)17)5-10-14(21)20-12(16(22)23)7-24-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-5-;/t15-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191377 ((5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-9(12-17(11)10(6-21-12)13(19)20)4-7-3-8-5-14-1-2-16(8)15-7/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191386 ((5R)(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo-[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3| Show InChI InChI=1S/C14H13N3O3S/c18-12-10(13-17(12)11(7-21-13)14(19)20)6-8-5-9-3-1-2-4-16(9)15-8/h5-7,13H,1-4H2,(H,19,20)/p-1/b10-6-/t13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O5S2/c17-11-9(12-16(11)10(5-22-12)13(18)19)4-7-3-8-6-23(20,21)2-1-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191383 ((5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191381 ((5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17| Show InChI InChI=1S/C22H20N2O4S2/c1-28-15-4-2-13(3-5-15)10-23-7-6-19-14(11-23)8-16(30-19)9-17-20(25)24-18(22(26)27)12-29-21(17)24/h2-5,8-9,12,21H,6-7,10-11H2,1H3,(H,26,27)/p-1/b17-9-/t21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50157694 ((5R,6Z)-6-[(7-fluoroimidazo[2,1-b][1,3]-benzothiaz...) Show SMILES Fc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16| Show InChI InChI=1S/C16H8FN3O3S2.Na/c17-7-1-2-10-12(3-7)25-16-18-8(5-19(10)16)4-9-13(21)20-11(15(22)23)6-24-14(9)20;/h1-6,14H,(H,22,23);/q;+1/p-1/b9-4-;/t14-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50157687 ((5R,6Z)-6-[(5-methylimidazo[2,1-b][1,3]-benzothiaz...) Show SMILES Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14| Show InChI InChI=1S/C17H11N3O3S2.Na/c1-8-3-2-4-12-13(8)19-6-9(18-17(19)25-12)5-10-14(21)20-11(16(22)23)7-24-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-5-;/t15-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50157691 ((5R,6Z)-6-[(7-methoxyimidazo[2,1-b][1,3]-benzothia...) Show SMILES COc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:17| Show InChI InChI=1S/C17H11N3O4S2.Na/c1-24-9-2-3-11-13(5-9)26-17-18-8(6-19(11)17)4-10-14(21)20-12(16(22)23)7-25-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-4-;/t15-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	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 |t:3| 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191383 ((5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191377 ((5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-9(12-17(11)10(6-21-12)13(19)20)4-7-3-8-5-14-1-2-16(8)15-7/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50157688 ((5R,6Z)-6-[(7-methylimidazo[2,1-b][1,3]-benzothiaz...) Show SMILES Cc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16| Show InChI InChI=1S/C17H11N3O3S2.Na/c1-8-2-3-11-13(4-8)25-17-18-9(6-19(11)17)5-10-14(21)20-12(16(22)23)7-24-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-5-;/t15-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50157693 ((5R,6Z)-6-[(7-chloroimidazo[2,1-b][1,3]-benzothiaz...) Show SMILES [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1cc(Cl)ccc21 |r,t:4| Show InChI InChI=1S/C16H8ClN3O3S2.Na/c17-7-1-2-10-12(3-7)25-16-18-8(5-19(10)16)4-9-13(21)20-11(15(22)23)6-24-14(9)20;/h1-6,14H,(H,22,23);/q;+1/p-1/b9-4-;/t14-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191386 ((5R)(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo-[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3| Show InChI InChI=1S/C14H13N3O3S/c18-12-10(13-17(12)11(7-21-13)14(19)20)6-8-5-9-3-1-2-4-16(9)15-8/h5-7,13H,1-4H2,(H,19,20)/p-1/b10-6-/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191385 ((5R,6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c]-[1,4]oxa...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50079695 (CHEMBL294203 | sodium (2S,3R,5R,6Z)-3-[(acetyloxy)...) Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C16H16N2O7S/c1-9(19)25-8-16(2)12(15(21)22)18-13(20)11(14(18)26(16,23)24)7-10-5-3-4-6-17-10/h3-7,12,14H,8H2,1-2H3,(H,21,22)/p-1/b11-7-/t12-,14?,16-/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	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus				Bioorg Med Chem Lett 9: 1997-2002 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60RF
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191387 ((5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,...) Show SMILES CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11| Show InChI InChI=1S/C14H14N4O3S/c1-16-2-3-17-5-8(15-11(17)6-16)4-9-12(19)18-10(14(20)21)7-22-13(9)18/h4-5,7,13H,2-3,6H2,1H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191389 (6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191388 ((5R)(6Z)-6-(6,7-5H-dihydropyrazolo[5,1-b]-oxazin-2...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)4-7-5-10-15(14-7)2-1-3-20-10/h4-6,12H,1-3H2,(H,18,19)/p-1/b8-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191378 (CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imi...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191380 (CHEMBL379440 | sodium (R,E)-7-oxo-6-((5,6,7,8-tetr...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-5-16-2-1-14-4-10(16)15-7/h3,5-6,12,14H,1-2,4H2,(H,19,20)/p-1/b8-3+/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191388 ((5R)(6Z)-6-(6,7-5H-dihydropyrazolo[5,1-b]-oxazin-2...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)4-7-5-10-15(14-7)2-1-3-20-10/h4-6,12H,1-3H2,(H,18,19)/p-1/b8-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191380 (CHEMBL379440 | sodium (R,E)-7-oxo-6-((5,6,7,8-tetr...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-5-16-2-1-14-4-10(16)15-7/h3,5-6,12,14H,1-2,4H2,(H,19,20)/p-1/b8-3+/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	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 TEM-1 (class A) beta-lactamase				Bioorg Med Chem Lett 9: 997-1002 (1999) BindingDB Entry DOI: 10.7270/Q2PK0FBJ
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50157693 ((5R,6Z)-6-[(7-chloroimidazo[2,1-b][1,3]-benzothiaz...) Show SMILES [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1cc(Cl)ccc21 |r,t:4| Show InChI InChI=1S/C16H8ClN3O3S2.Na/c17-7-1-2-10-12(3-7)25-16-18-8(5-19(10)16)4-9-13(21)20-11(15(22)23)6-24-14(9)20;/h1-6,14H,(H,22,23);/q;+1/p-1/b9-4-;/t14-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Escherichia coli TEM1				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191385 ((5R,6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c]-[1,4]oxa...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191387 ((5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,...) Show SMILES CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11| Show InChI InChI=1S/C14H14N4O3S/c1-16-2-3-17-5-8(15-11(17)6-16)4-9-12(19)18-10(14(20)21)7-22-13(9)18/h4-5,7,13H,2-3,6H2,1H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Imipenem-hydrolyzing beta-lactamase (Enterobacter cloacae)	BDBM50191378 (CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imi...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae Imi1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50157694 ((5R,6Z)-6-[(7-fluoroimidazo[2,1-b][1,3]-benzothiaz...) Show SMILES Fc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16| Show InChI InChI=1S/C16H8FN3O3S2.Na/c17-7-1-2-10-12(3-7)25-16-18-8(5-19(10)16)4-9-13(21)20-11(15(22)23)6-24-14(9)20;/h1-6,14H,(H,22,23);/q;+1/p-1/b9-4-;/t14-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50191383 ((5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Bacteroides fragilis CcrA				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50157687 ((5R,6Z)-6-[(5-methylimidazo[2,1-b][1,3]-benzothiaz...) Show SMILES Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14| Show InChI InChI=1S/C17H11N3O3S2.Na/c1-8-3-2-4-12-13(8)19-6-9(18-17(19)25-12)5-10-14(21)20-11(16(22)23)7-24-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-5-;/t15-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Imipenem-hydrolyzing beta-lactamase (Enterobacter cloacae)	BDBM50191389 (6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae Imi1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191382 ((5R,6Z)-7-oxo-6-{[5-(pyridin-3-ylmethyl)-4,5,6,7-t...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(Cc3cccnc3)CCc2s1 |t:3| Show InChI InChI=1S/C20H17N3O3S2/c24-18-15(19-23(18)16(11-27-19)20(25)26)7-14-6-13-10-22(5-3-17(13)28-14)9-12-2-1-4-21-8-12/h1-2,4,6-8,11,19H,3,5,9-10H2,(H,25,26)/p-1/b15-7-/t19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50157689 ((5R,6Z)-6-(imidazo[2,1-b][1,3]benzothiazol-2-ylmet...) Show SMILES [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1ccccc21 |r,t:4| Show InChI InChI=1S/C16H9N3O3S2.Na/c20-13-9(14-19(13)11(7-23-14)15(21)22)5-8-6-18-10-3-1-2-4-12(10)24-16(18)17-8;/h1-7,14H,(H,21,22);/q;+1/p-1/b9-5-;/t14-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	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 |t:3| 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50191389 (6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Bacteroides fragilis CcrA				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50079686 (CHEMBL292093 | disodium (2S,3R,5R,6Z)-3-methyl-6-(...) Show SMILES C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C18H17NO9S/c1-18(9-28-13(22)7-10-5-3-2-4-6-10)14(17(24)25)19-15(23)11(8-12(20)21)16(19)29(18,26)27/h2-6,8,14,16H,7,9H2,1H3,(H,20,21)(H,24,25)/p-2/b11-8-/t14-,16?,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against serine beta-lactamase, PC1 (class A) derived from Staphylococcus aureus				Bioorg Med Chem Lett 9: 1997-2002 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60RF
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191381 ((5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17| Show InChI InChI=1S/C22H20N2O4S2/c1-28-15-4-2-13(3-5-15)10-23-7-6-19-14(11-23)8-16(30-19)9-17-20(25)24-18(22(26)27)12-29-21(17)24/h2-5,8-9,12,21H,6-7,10-11H2,1H3,(H,26,27)/p-1/b17-9-/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50157691 ((5R,6Z)-6-[(7-methoxyimidazo[2,1-b][1,3]-benzothia...) Show SMILES COc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:17| Show InChI InChI=1S/C17H11N3O4S2.Na/c1-24-9-2-3-11-13(5-9)26-17-18-8(6-19(11)17)4-10-14(21)20-12(16(22)23)7-25-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-4-;/t15-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191382 ((5R,6Z)-7-oxo-6-{[5-(pyridin-3-ylmethyl)-4,5,6,7-t...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(Cc3cccnc3)CCc2s1 |t:3| Show InChI InChI=1S/C20H17N3O3S2/c24-18-15(19-23(18)16(11-27-19)20(25)26)7-14-6-13-10-22(5-3-17(13)28-14)9-12-2-1-4-21-8-12/h1-2,4,6-8,11,19H,3,5,9-10H2,(H,25,26)/p-1/b15-7-/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Imipenem-hydrolyzing beta-lactamase (Enterobacter cloacae)	BDBM50191379 ((5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae Imi1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair

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