Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'kutschke' and Initial = 'a'   

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
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491052 (CHEMBL2377693) Show SMILES C[C@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM159843 (BDBM159925 | US9040528, 2 | US9040528, 2(b)) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(C)noc4c(F)c23)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,9+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103538 (CHEMBL3357561) Show SMILES CC1CN2C(C(C)O1)C1(Cc3cc4c(C)noc4c(F)c23)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491048 (CHEMBL2377694) Show SMILES C[C@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H18N2O4/c1-13(22)17(19(24)21-25)20-18(23)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17,22,25H,1H3,(H,20,23)(H,21,24)/t13-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491047 (CHEMBL2377569) Show SMILES OCCCNC(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H23N3O5/c26-14-4-13-23-20(27)15-19(22(29)25-30)24-21(28)18-11-9-17(10-12-18)8-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,19,26,30H,4,13-15H2,(H,23,27)(H,24,28)(H,25,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491056 (CHEMBL2377567) Show SMILES ONC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C21H18N4O3/c26-20(24-19(21(27)25-28)12-18-13-22-14-23-18)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-11,13-14,19,28H,12H2,(H,22,23)(H,24,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491046 (CHEMBL2377699) Show SMILES OC[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C18H16N2O4/c21-12-16(18(23)20-24)19-17(22)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16,21,24H,12H2,(H,19,22)(H,20,23)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491045 (CHEMBL2377702) Show SMILES CSC[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H18N2O3S/c1-25-13-17(19(23)21-24)20-18(22)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12,17,24H,13H2,1H3,(H,20,22)(H,21,23)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491051 (CHEMBL2377703) Show SMILES CS(=O)(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H18N2O5S/c1-27(25,26)13-17(19(23)21-24)20-18(22)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12,17,24H,13H2,1H3,(H,20,22)(H,21,23)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491044 (CHEMBL2377704) Show SMILES ONC(=O)[C@@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H18N2O3/c26-22(24-21(23(27)25-28)19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-10,13-16,21,28H,(H,24,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491050 (CHEMBL2377698) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C20H20N2O3/c1-14(2)18(20(24)22-25)21-19(23)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-7,10-14,18,25H,1-2H3,(H,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491055 (CHEMBL2377570) Show SMILES COCCNC(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H23N3O5/c1-30-14-13-23-20(26)15-19(22(28)25-29)24-21(27)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h2-6,9-12,19,29H,13-15H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491058 (CHEMBL2377690) Show SMILES ONC(=O)C1(CCS(=O)(=O)CC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C21H20N2O5S/c24-19(22-21(20(25)23-26)12-14-29(27,28)15-13-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,26H,12-15H2,(H,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491043 (CHEMBL2377571) Show SMILES ONC(=O)[C@H](CC(=O)NCC#C)NC(=O)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H19N3O4/c1-2-14-23-20(26)15-19(22(28)25-29)24-21(27)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h1,3-7,10-13,19,29H,14-15H2,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491053 (CHEMBL2377568) Show SMILES NC(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H17N3O4/c20-17(23)12-16(19(25)22-26)21-18(24)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16,26H,12H2,(H2,20,23)(H,21,24)(H,22,25)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491042 (CHEMBL2377688) Show SMILES ONC(=O)C1(CCOCC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C21H20N2O4/c24-19(22-21(20(25)23-26)12-14-27-15-13-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,26H,12-15H2,(H,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103539 (CHEMBL3357982) Show SMILES [H][C@@]12[C@@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(C)noc2c1F |r| Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,9-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491059 (CHEMBL2377566) Show SMILES ONC(=O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H18N2O3/c26-22(24-21(23(27)25-28)19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-10,13-16,21,28H,(H,24,26)(H,25,27)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM92261 (CS251) Show SMILES NC[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C18H17N3O3/c19-12-16(18(23)21-24)20-17(22)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16,24H,12,19H2,(H,20,22)(H,21,23)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491041 (CHEMBL2377696) Show SMILES CC(NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C18H16N2O3/c1-13(17(21)20-23)19-18(22)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,23H,1H3,(H,19,22)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491040 (CHEMBL2377689) Show SMILES ONC(=O)C1(CCSCC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C21H20N2O3S/c24-19(22-21(20(25)23-26)12-14-27-15-13-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,26H,12-15H2,(H,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103540 (CHEMBL3357983) Show SMILES [H][C@]12[C@H](C)O[C@@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(C)noc2c1F |r| Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,9-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131483 (CHEMBL3632788) Show SMILES CC(C)(C)c1nc(-c2ncc[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C15H16N8/c1-15(2,3)14-21-10(13-19-4-5-20-13)8-9(17)7(6-16)11(18)22-12(8)23-14/h4-5H,1-3H3,(H,19,20)(H4,17,18,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131487 (CHEMBL3634881) Show SMILES CC(C)(C)c1ccc2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C13H15N5/c1-13(2,3)9-5-4-7-10(15)8(6-14)11(16)18-12(7)17-9/h4-5H,1-3H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131401 (CHEMBL3632791) Show SMILES CC(C)(C)c1nc(-c2cnn[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C14H15N9/c1-14(2,3)13-19-10(7-5-18-23-22-7)8-9(16)6(4-15)11(17)20-12(8)21-13/h5H,1-3H3,(H,18,22,23)(H4,16,17,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131438 (CHEMBL3632777) Show SMILES CC(C)(C)c1nc(-c2nccs2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C15H15N7S/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131421 (CHEMBL3632770) Show SMILES CSc1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C13H16N6S/c1-13(2,3)12-18-10-7(11(19-12)20-4)8(15)6(5-14)9(16)17-10/h1-4H3,(H4,15,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131484 (CHEMBL3632789) Show SMILES Cc1c[nH]c(n1)-c1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C16H18N8/c1-7-6-20-14(21-7)11-9-10(18)8(5-17)12(19)23-13(9)24-15(22-11)16(2,3)4/h6H,1-4H3,(H,20,21)(H4,18,19,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131486 (CHEMBL3634880) Show SMILES CC(C)(C)c1nc(-c2ccc[nH]2)c2cc(C(N)=O)c(N)nc2n1 Show InChI InChI=1S/C16H18N6O/c1-16(2,3)15-20-11(10-5-4-6-19-10)8-7-9(13(18)23)12(17)21-14(8)22-15/h4-7,19H,1-3H3,(H2,18,23)(H2,17,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM159845 (US9040528, 2(a)) Show SMILES C[C@H]1CN2[C@@H]([C@@H](C)O1)C1(Cc3cc4c(C)noc4c(F)c23)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,9+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>83	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131412 (CHEMBL3632794) Show SMILES CC(C)(C)c1nc(-c2nc(CO)cs2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C16H17N7OS/c1-16(2,3)15-21-11(14-20-7(5-24)6-25-14)9-10(18)8(4-17)12(19)22-13(9)23-15/h6,24H,5H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491049 (CHEMBL2377573) Show SMILES ONC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C22H22N2O3/c25-20(23-22(21(26)24-27)15-5-2-6-16-22)19-13-11-18(12-14-19)10-9-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,27H,2,5-6,15-16H2,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131485 (CHEMBL3632790) Show SMILES CC(C)(C)c1nc(-c2ccn[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C15H16N8/c1-15(2,3)14-20-11(8-4-5-19-23-8)9-10(17)7(6-16)12(18)21-13(9)22-14/h4-5H,1-3H3,(H,19,23)(H4,17,18,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491057 (CHEMBL2377691) Show SMILES ONC(=O)C1(CCNCC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C21H21N3O3/c25-19(23-21(20(26)24-27)12-14-22-15-13-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,22,27H,12-15H2,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131424 (CHEMBL3632772) Show SMILES CCCCc1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C16H22N6/c1-5-6-7-10-11-12(18)9(8-17)13(19)21-14(11)22-15(20-10)16(2,3)4/h5-7H2,1-4H3,(H4,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131407 (CHEMBL3632793) Show SMILES CC(C)(C)c1nc(-c2ncco2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C15H15N7O/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131430 (CHEMBL3632775) Show SMILES CC(C)(C)c1nc(C2CCCC2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C17H22N6/c1-17(2,3)16-21-13(9-6-4-5-7-9)11-12(19)10(8-18)14(20)22-15(11)23-16/h9H,4-7H2,1-3H3,(H4,19,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491060 (CHEMBL2377695) Show SMILES ONC(=O)CNC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C17H14N2O3/c20-16(19-22)12-18-17(21)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,22H,12H2,(H,18,21)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131439 (CHEMBL3632778) Show SMILES CC(C)(C)c1nc(-c2cccs2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C16H16N6S/c1-16(2,3)15-20-12(9-5-4-6-23-9)10-11(18)8(7-17)13(19)21-14(10)22-15/h4-6H,1-3H3,(H4,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131413 (CHEMBL3632795) Show SMILES COCc1csc(n1)-c1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C17H19N7OS/c1-17(2,3)16-22-12(15-21-8(6-25-4)7-26-15)10-11(19)9(5-18)13(20)23-14(10)24-16/h7H,6H2,1-4H3,(H4,19,20,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491039 (CHEMBL2377572) Show SMILES ONC(=O)C1(CCC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C20H18N2O3/c23-18(21-20(13-4-14-20)19(24)22-25)17-11-9-16(10-12-17)8-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,25H,4,13-14H2,(H,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491038 (CHEMBL2377700) Show SMILES OC[C@@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C18H16N2O4/c21-12-16(18(23)20-24)19-17(22)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16,21,24H,12H2,(H,19,22)(H,20,23)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM160047 (US9040528, 180) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(Cl)noc4c(F)c23)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H16ClFN4O5/c1-6-5-24-11-8(3-9-12(10(11)20)29-23-14(9)19)4-18(13(24)7(2)28-6)15(25)21-17(27)22-16(18)26/h3,6-7,13H,4-5H2,1-2H3,(H2,21,22,25,26,27)/t6-,7+,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50491037 (CHEMBL2377697) Show SMILES CC(C)(NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C19H18N2O3/c1-19(2,18(23)21-24)20-17(22)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13,24H,1-2H3,(H,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...				Bioorg Med Chem Lett 23: 2362-7 (2013) Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131419 (CHEMBL3632769) Show SMILES CC(C)(C)c1ncc2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C12H14N6/c1-12(2,3)11-16-5-7-8(14)6(4-13)9(15)17-10(7)18-11/h5H,1-3H3,(H4,14,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131422 (CHEMBL3632771) Show SMILES Cc1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C13H16N6/c1-6-8-9(15)7(5-14)10(16)18-11(8)19-12(17-6)13(2,3)4/h1-4H3,(H4,15,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131425 (CHEMBL3632773) Show SMILES CC(C)(C)c1nc(CCCCC#N)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C17H21N7/c1-17(2,3)16-22-11(7-5-4-6-8-18)12-13(20)10(9-19)14(21)23-15(12)24-16/h4-7H2,1-3H3,(H4,20,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM159842 (US9040528, 1) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(N)noc4c(F)c23)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H18FN5O5/c1-6-5-24-11-8(3-9-12(10(11)19)29-23-14(9)20)4-18(13(24)7(2)28-6)15(25)21-17(27)22-16(18)26/h3,6-7,13H,4-5H2,1-2H3,(H2,20,23)(H2,21,22,25,26,27)/t6-,7+,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	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 Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50131405 (CHEMBL3632792) Show SMILES CC(C)(C)c1nc(-c2ncn[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C14H15N9/c1-14(2,3)13-20-9(12-18-5-19-23-12)7-8(16)6(4-15)10(17)21-11(7)22-13/h5H,1-3H3,(H,18,19,23)(H4,16,17,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair

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