Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'romero' and Initial = 'ja'   

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)	BDBM50501754 (CHEMBL4071396) Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H33N3O4/c1-19(31)26(27(32)29-33)28-25-4-2-3-23-17-21(11-12-24(23)25)8-5-20-6-9-22(10-7-20)18-30-13-15-34-16-14-30/h6-7,9-12,17,19,25-26,28,31,33H,2-4,13-16,18H2,1H3,(H,29,32)/t19-,25?,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501764 (CHEMBL4061199) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)O |r| Show InChI InChI=1S/C27H33N3O4/c1-27(2,32)25(26(31)29-33)28-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-30-13-15-34-16-14-30/h4-5,7-9,11,17,24-25,28,32-33H,10,12-16,18H2,1-2H3,(H,29,31)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501755 (CHEMBL4077947) Show SMILES C[C@@H](O)[C@H](NC1CCOc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-23-10-13-34-24-16-20(8-9-22(23)24)5-2-19-3-6-21(7-4-19)17-29-11-14-33-15-12-29/h3-4,6-9,16,18,23,25,27,30,32H,10-15,17H2,1H3,(H,28,31)/t18-,23?,25+/m1/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501762 (CHEMBL4081478) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2C)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H28N4O3/c1-17(31)25(26(32)29-33)28-24-12-10-22-15-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)16-30-14-13-27-18(30)2/h4-5,7-9,11,13-15,17,24-25,28,31,33H,10,12,16H2,1-2H3,(H,29,32)/t17-,24+,25+/m1/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501782 (CHEMBL4087371) Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H24N2O3/c1-15(25)21(22(26)24-27)23-20-9-5-8-18-14-17(12-13-19(18)20)11-10-16-6-3-2-4-7-16/h2-4,6-7,12-15,20-21,23,25,27H,5,8-9H2,1H3,(H,24,26)/t15-,20?,21+/m1/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50200120 (CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...) 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+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501780 (CHEMBL4083988) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H34N4O3/c1-27(2,28)25(26(32)30-33)29-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-31-13-15-34-16-14-31/h4-5,7-9,11,17,24-25,29,33H,10,12-16,18,28H2,1-2H3,(H,30,32)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501779 (CHEMBL4102207) Show SMILES C[C@@H](O)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-24-17-34-16-22-14-20(8-9-23(22)24)5-2-19-3-6-21(7-4-19)15-29-10-12-33-13-11-29/h3-4,6-9,14,18,24-25,27,30,32H,10-13,15-17H2,1H3,(H,28,31)/t18-,24?,25+/m1/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501764 (CHEMBL4061199) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)O |r| Show InChI InChI=1S/C27H33N3O4/c1-27(2,32)25(26(31)29-33)28-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-30-13-15-34-16-14-30/h4-5,7-9,11,17,24-25,28,32-33H,10,12-16,18H2,1-2H3,(H,29,31)/t24-,25+/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501756 (CHEMBL4066982) Show SMILES C[C@@H](O)[C@H](NC1CCN(C)c2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H34N4O4/c1-19(32)26(27(33)29-34)28-24-11-12-30(2)25-17-21(9-10-23(24)25)6-3-20-4-7-22(8-5-20)18-31-13-15-35-16-14-31/h4-5,7-10,17,19,24,26,28,32,34H,11-16,18H2,1-2H3,(H,29,33)/t19-,24?,26+/m1/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501768 (CHEMBL4102818) Show SMILES C[C@@H](O)[C@H](NC1CCN(C)c2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H25N3O3/c1-15(26)21(22(27)24-28)23-19-12-13-25(2)20-14-17(10-11-18(19)20)9-8-16-6-4-3-5-7-16/h3-7,10-11,14-15,19,21,23,26,28H,12-13H2,1-2H3,(H,24,27)/t15-,19?,21+/m1/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501753 (CHEMBL4098438) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501780 (CHEMBL4083988) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H34N4O3/c1-27(2,28)25(26(32)30-33)29-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-31-13-15-34-16-14-31/h4-5,7-9,11,17,24-25,29,33H,10,12-16,18,28H2,1-2H3,(H,30,32)/t24-,25+/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501754 (CHEMBL4071396) Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H33N3O4/c1-19(31)26(27(32)29-33)28-25-4-2-3-23-17-21(11-12-24(23)25)8-5-20-6-9-22(10-7-20)18-30-13-15-34-16-14-30/h6-7,9-12,17,19,25-26,28,31,33H,2-4,13-16,18H2,1H3,(H,29,32)/t19-,25?,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501778 (CHEMBL4098674) Show SMILES C[C@@H](O)[C@H](NC1COCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C21H22N2O4/c1-14(24)20(21(25)23-26)22-19-13-27-12-17-11-16(9-10-18(17)19)8-7-15-5-3-2-4-6-15/h2-6,9-11,14,19-20,22,24,26H,12-13H2,1H3,(H,23,25)/t14-,19?,20+/m1/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501770 (CHEMBL4092719) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501753 (CHEMBL4098438) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24+,25+/m1/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501752 (CHEMBL4095059) Show SMILES C[C@@H](O)[C@H](NC1CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24?,25+/m1/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501764 (CHEMBL4061199) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)O |r| Show InChI InChI=1S/C27H33N3O4/c1-27(2,32)25(26(31)29-33)28-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-30-13-15-34-16-14-30/h4-5,7-9,11,17,24-25,28,32-33H,10,12-16,18H2,1-2H3,(H,29,31)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501783 (CHEMBL4064896) Show SMILES [H][C@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501761 (CHEMBL4068010) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCC(CC2)OC)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C28H35N3O4/c1-19(32)27(28(33)30-34)29-26-12-10-23-17-21(9-11-25(23)26)6-3-20-4-7-22(8-5-20)18-31-15-13-24(35-2)14-16-31/h4-5,7-9,11,17,19,24,26-27,29,32,34H,10,12-16,18H2,1-2H3,(H,30,33)/t19-,26+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501753 (CHEMBL4098438) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501767 (CHEMBL4091763) Show SMILES CC(C)(N)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H31N5O4/c1-27(2,28)25(26(34)31-35)30-23-17-36-16-21-13-19(9-10-22(21)23)6-3-18-4-7-20(8-5-18)14-32-12-11-29-24(32)15-33/h4-5,7-13,23,25,30,33,35H,14-17,28H2,1-2H3,(H,31,34)/t23?,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501762 (CHEMBL4081478) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2C)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H28N4O3/c1-17(31)25(26(32)29-33)28-24-12-10-22-15-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)16-30-14-13-27-18(30)2/h4-5,7-9,11,13-15,17,24-25,28,31,33H,10,12,16H2,1-2H3,(H,29,32)/t17-,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501752 (CHEMBL4095059) Show SMILES C[C@@H](O)[C@H](NC1CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24?,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501770 (CHEMBL4092719) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25+/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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173889 (CHEMBL3809400) Show SMILES C=CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O Show InChI InChI=1S/C17H13N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h2-7,9-10H,1,8H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501770 (CHEMBL4092719) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501782 (CHEMBL4087371) Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H24N2O3/c1-15(25)21(22(26)24-27)23-20-9-5-8-18-14-17(12-13-19(18)20)11-10-16-6-3-2-4-7-16/h2-4,6-7,12-15,20-21,23,25,27H,5,8-9H2,1H3,(H,24,26)/t15-,20?,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501766 (CHEMBL4070896) Show SMILES CC(C)(N)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)25(26(32)30-33)29-24-18-35-17-22-15-20(9-10-23(22)24)6-3-19-4-7-21(8-5-19)16-31-11-13-34-14-12-31/h4-5,7-10,15,24-25,29,33H,11-14,16-18,28H2,1-2H3,(H,30,32)/t24?,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501763 (CHEMBL4099505) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CCO)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C27H30N4O4/c1-18(33)26(27(34)30-35)29-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-31-14-13-28-25(31)12-15-32/h3-4,6-8,10,13-14,16,18,24,26,29,32-33,35H,9,11-12,15,17H2,1H3,(H,30,34)/t18-,24+,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501763 (CHEMBL4099505) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CCO)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C27H30N4O4/c1-18(33)26(27(34)30-35)29-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-31-14-13-28-25(31)12-15-32/h3-4,6-8,10,13-14,16,18,24,26,29,32-33,35H,9,11-12,15,17H2,1H3,(H,30,34)/t18-,24+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501767 (CHEMBL4091763) Show SMILES CC(C)(N)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H31N5O4/c1-27(2,28)25(26(34)31-35)30-23-17-36-16-21-13-19(9-10-22(21)23)6-3-18-4-7-20(8-5-18)14-32-12-11-29-24(32)15-33/h4-5,7-13,23,25,30,33,35H,14-17,28H2,1-2H3,(H,31,34)/t23?,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501761 (CHEMBL4068010) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCC(CC2)OC)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C28H35N3O4/c1-19(32)27(28(33)30-34)29-26-12-10-23-17-21(9-11-25(23)26)6-3-20-4-7-22(8-5-20)18-31-15-13-24(35-2)14-16-31/h4-5,7-9,11,17,19,24,26-27,29,32,34H,10,12-16,18H2,1-2H3,(H,30,33)/t19-,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501780 (CHEMBL4083988) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H34N4O3/c1-27(2,28)25(26(32)30-33)29-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-31-13-15-34-16-14-31/h4-5,7-9,11,17,24-25,29,33H,10,12-16,18,28H2,1-2H3,(H,30,32)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501786 (CHEMBL4089353) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H28N4O4/c1-17(32)25(26(33)29-34)28-23-11-9-21-14-19(8-10-22(21)23)5-2-18-3-6-20(7-4-18)15-30-13-12-27-24(30)16-31/h3-4,6-8,10,12-14,17,23,25,28,31-32,34H,9,11,15-16H2,1H3,(H,29,33)/t17-,23+,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173875 (CHEMBL3808756) Show SMILES CCCn1c2[nH]nc(-c3nc(C(=O)OC)c(s3)-c3cccnc3)c2ccc1=O Show InChI InChI=1S/C19H17N5O3S/c1-3-9-24-13(25)7-6-12-14(22-23-17(12)24)18-21-15(19(26)27-2)16(28-18)11-5-4-8-20-10-11/h4-8,10H,3,9H2,1-2H3,(H,22,23)	PDB MMDB KEGG 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
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173879 (CHEMBL3810359) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501755 (CHEMBL4077947) Show SMILES C[C@@H](O)[C@H](NC1CCOc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-23-10-13-34-24-16-20(8-9-22(23)24)5-2-19-3-6-21(7-4-19)17-29-11-14-33-15-12-29/h3-4,6-9,16,18,23,25,27,30,32H,10-15,17H2,1H3,(H,28,31)/t18-,23?,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501779 (CHEMBL4102207) Show SMILES C[C@@H](O)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-24-17-34-16-22-14-20(8-9-23(22)24)5-2-19-3-6-21(7-4-19)15-29-10-12-33-13-11-29/h3-4,6-9,14,18,24-25,27,30,32H,10-13,15-17H2,1H3,(H,28,31)/t18-,24?,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501760 (CHEMBL4078871) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(COCCNC)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C25H31N3O4/c1-17(29)24(25(30)28-31)27-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-26-2/h4-5,7-9,11,15,17,23-24,26-27,29,31H,10,12-14,16H2,1-2H3,(H,28,30)/t17-,23+,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501775 (CHEMBL4077504) Show SMILES C[C@@H](O)[C@H](NC1CCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C21H22N2O3/c1-14(24)20(21(25)23-26)22-19-12-10-17-13-16(9-11-18(17)19)8-7-15-5-3-2-4-6-15/h2-6,9,11,13-14,19-20,22,24,26H,10,12H2,1H3,(H,23,25)/t14-,19?,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173641 (CHEMBL3810223) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)N3CCN(C)CC3)c2ccc1=O Show InChI InChI=1S/C22H25N7OS/c1-3-8-29-19(30)7-5-16-20(25-26-21(16)29)17-14-24-22(31-17)15-4-6-18(23-13-15)28-11-9-27(2)10-12-28/h4-7,13-14H,3,8-12H2,1-2H3,(H,25,26)	PDB MMDB 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
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501766 (CHEMBL4070896) Show SMILES CC(C)(N)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)25(26(32)30-33)29-24-18-35-17-22-15-20(9-10-23(22)24)6-3-19-4-7-21(8-5-19)16-31-11-13-34-14-12-31/h4-5,7-10,15,24-25,29,33H,11-14,16-18,28H2,1-2H3,(H,30,32)/t24?,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50134212 (CHEMBL3741453) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(O)=O)c2ccc1=O Show InChI InChI=1S/C18H15N5O3S/c1-2-7-23-14(24)6-4-11-15(21-22-16(11)23)13-9-20-17(27-13)10-3-5-12(18(25)26)19-8-10/h3-6,8-9H,2,7H2,1H3,(H,21,22)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis				ACS Med Chem Lett 6: 1080-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00266 BindingDB Entry DOI: 10.7270/Q2GB25VF
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173644 (CHEMBL3810048) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(C)nc3)c2ccc1=O Show InChI InChI=1S/C18H17N5OS/c1-3-8-23-15(24)7-6-13-16(21-22-17(13)23)14-10-20-18(25-14)12-5-4-11(2)19-9-12/h4-7,9-10H,3,8H2,1-2H3,(H,21,22)	PDB MMDB 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
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50499015 (CHEMBL3736321) Show SMILES CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(cnc12)-c1ccn(CCO)c(=O)c1 Show InChI InChI=1S/C21H20BrN7O3/c1-2-23-21(32)27-16-12-29(20-25-10-15(22)11-26-20)17-7-14(9-24-19(16)17)13-3-4-28(5-6-30)18(31)8-13/h3-4,7-12,30H,2,5-6H2,1H3,(H2,23,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA GyraseB ATPase activity using linear pBR322 DNA as substrate incubated for 30 mins by fluorescence polarizati...				J Med Chem 58: 8503-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00961 BindingDB Entry DOI: 10.7270/Q24B34BK
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173857 (CHEMBL3808789) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)NCCN(CC)CC)c2ccc1=O Show InChI InChI=1S/C24H29N7O2S/c1-4-12-31-20(32)10-8-17-21(28-29-22(17)31)19-15-27-24(34-19)16-7-9-18(26-14-16)23(33)25-11-13-30(5-2)6-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,33)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173823 (CHEMBL3809278) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)N(C)C)c2ccc1=O Show InChI InChI=1S/C20H20N6O2S/c1-4-9-26-16(27)8-6-13-17(23-24-18(13)26)15-11-22-19(29-15)12-5-7-14(21-10-12)20(28)25(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501783 (CHEMBL4064896) Show SMILES [H][C@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair

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