Compile Data Set for Download or QSAR

Found 1132 hits Enz. Inhib. hit(s) with Target = 'UDP-3-O-acyl-N-acetylglucosamine deacetylase'   

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)	BDBM50493080 (CHEMBL2420203) Show SMILES C[C@@](O)([C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO)c1ccc(O)cc1 |r| Show InChI InChI=1S/C27H23N3O5/c1-27(34,21-12-16-23(31)17-13-21)24(26(33)30-35)29-25(32)20-10-6-18(7-11-20)4-2-3-5-19-8-14-22(28)15-9-19/h6-17,24,31,34-35H,28H2,1H3,(H,29,32)(H,30,33)/t24-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC enzyme using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetyl glucosamine and [gamma-32P] UDP-3-O-[(R)-3-hydroxymyristoy...				J Med Chem 56: 6954-6966 (2013) Article DOI: 10.1021/jm4007774 BindingDB Entry DOI: 10.7270/Q28K7D11
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50493081 (CHEMBL2420205) Show SMILES C[C@@](O)([C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO)c1c[nH]nn1 |r| Show InChI InChI=1S/C23H20N6O4/c1-23(32,19-14-25-29-27-19)20(22(31)28-33)26-21(30)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(24)13-9-16/h6-14,20,32-33H,24H2,1H3,(H,26,30)(H,28,31)(H,25,27,29)/t20-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC enzyme using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetyl glucosamine and [gamma-32P] UDP-3-O-[(R)-3-hydroxymyristoy...				J Med Chem 56: 6954-6966 (2013) Article DOI: 10.1021/jm4007774 BindingDB Entry DOI: 10.7270/Q28K7D11
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO |t:14| Show InChI InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50478376 (BB-78485 | CHEMBL261713) Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50478376 (BB-78485 | CHEMBL261713) Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC Q202W/G210S mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50483252 (CHEMBL1643369) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO |r| Show InChI InChI=1S/C21H19N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25,28H,22H2,1H3,(H,23,26)(H,24,27)/t14-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem 19: 852-60 (2011) Article DOI: 10.1016/j.bmc.2010.12.017 BindingDB Entry DOI: 10.7270/Q2DV1NQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50483252 (CHEMBL1643369) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO |r| Show InChI InChI=1S/C21H19N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25,28H,22H2,1H3,(H,23,26)(H,24,27)/t14-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem 19: 852-60 (2011) Article DOI: 10.1016/j.bmc.2010.12.017 BindingDB Entry DOI: 10.7270/Q2DV1NQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO |t:14| Show InChI InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC Q202W/G210S mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC enzyme				J Med Chem 56: 6954-6966 (2013) Article DOI: 10.1021/jm4007774 BindingDB Entry DOI: 10.7270/Q28K7D11
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM92267 (CS257) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem 19: 852-60 (2011) Article DOI: 10.1016/j.bmc.2010.12.017 BindingDB Entry DOI: 10.7270/Q2DV1NQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM92267 (CS257) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem 19: 852-60 (2011) Article DOI: 10.1016/j.bmc.2010.12.017 BindingDB Entry DOI: 10.7270/Q2DV1NQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Rhizobium leguminosarum bv. trifolii (strain WSM13...)	BDBM50478376 (BB-78485 | CHEMBL261713) Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Rhizobium leguminosarum LpxC W206Q/S214G mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92269 (CS259) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO 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+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.0	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92268 (CS258) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO Show InChI InChI=1S/C17H17BrN2O4/c1-10(21)15(17(23)20-24)19-16(22)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,15,21,24H,1H3,(H,19,22)(H,20,23)/t10-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.0	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92267 (CS257) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.0	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem Lett 22: 2536-43 (2012) Article DOI: 10.1016/j.bmcl.2012.01.140 BindingDB Entry DOI: 10.7270/Q2JS9T9W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem Lett 21: 1155-61 (2011) Article DOI: 10.1016/j.bmcl.2010.12.111 BindingDB Entry DOI: 10.7270/Q2Q52SFZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Rhizobium leguminosarum bv. trifolii (strain WSM13...)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Rhizobium leguminosarum LpxC W206Q/S214G mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Rhizobium leguminosarum bv. trifolii (strain WSM13...)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Rhizobium leguminosarum LpxC S214G mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC Q202W/G210S mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	10	-45.7	n/a	n/a	n/a	n/a	n/a	7.0	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92262 (CS252) Show SMILES NC[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C20H17N3O3/c21-14-18(20(25)23-26)22-19(24)17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13,18,26H,14,21H2,(H,22,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PubMed	10	-45.7	n/a	n/a	n/a	n/a	n/a	7.0	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50478376 (BB-78485 | CHEMBL261713) Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem Lett 22: 2536-43 (2012) Article DOI: 10.1016/j.bmcl.2012.01.140 BindingDB Entry DOI: 10.7270/Q2JS9T9W
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO |t:14| Show InChI InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem Lett 22: 2536-43 (2012) Article DOI: 10.1016/j.bmcl.2012.01.140 BindingDB Entry DOI: 10.7270/Q2JS9T9W
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO |t:14| Show InChI InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem Lett 21: 1155-61 (2011) Article DOI: 10.1016/j.bmcl.2010.12.111 BindingDB Entry DOI: 10.7270/Q2Q52SFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO |t:14| Show InChI InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC enzyme				J Med Chem 56: 6954-6966 (2013) Article DOI: 10.1021/jm4007774 BindingDB Entry DOI: 10.7270/Q28K7D11
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495314 (CHEMBL3103559) Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C18H17NO4/c20-12-17(23-13-18(21)19-22)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495317 (CHEMBL3103561) Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H26N2O5/c26-16-22(30-17-23(27)24-28)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-25-11-13-29-14-12-25/h3-10,22,26,28H,11-17H2,(H,24,27)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Rhizobium leguminosarum bv. trifolii (strain WSM13...)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO |t:14| Show InChI InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Rhizobium leguminosarum LpxC W206Q/S214G mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495323 (CHEMBL3103548) Show SMILES OC[C@H](O[C@H](CO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H28N2O6/c27-16-22(32-23(17-28)24(29)25-30)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-26-11-13-31-14-12-26/h3-10,22-23,27-28,30H,11-17H2,(H,25,29)/t22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50483375 (CHEMBL1236446) Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CC(=O)NO)CO[C@H](CO)[C@H]1O |r| Show InChI InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem Lett 22: 2536-43 (2012) Article DOI: 10.1016/j.bmcl.2012.01.140 BindingDB Entry DOI: 10.7270/Q2JS9T9W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50483375 (CHEMBL1236446) Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CC(=O)NO)CO[C@H](CO)[C@H]1O |r| Show InChI InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem Lett 21: 1155-61 (2011) Article DOI: 10.1016/j.bmcl.2010.12.111 BindingDB Entry DOI: 10.7270/Q2Q52SFZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495312 (CHEMBL3103550) Show SMILES ONC(=O)COCc1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C22H24N2O4/c25-22(23-26)17-28-16-21-9-5-19(6-10-21)2-1-18-3-7-20(8-4-18)15-24-11-13-27-14-12-24/h3-10,26H,11-17H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495316 (CHEMBL3103560) Show SMILES OC[C@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C18H17NO4/c20-12-17(23-13-18(21)19-22)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495311 (CHEMBL3103562) Show SMILES OC[C@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H26N2O5/c26-16-22(30-17-23(27)24-28)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-25-11-13-29-14-12-25/h3-10,22,26,28H,11-17H2,(H,24,27)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264952 (US9718792, 95) Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(cc1)[C@@H](O)CO)(C(=O)NO)S(C)(=O)=O |r,c:5| Show InChI InChI=1S/C22H26N2O7S/c1-22(21(27)23-28,32(2,29)30)12-18-11-19(24-31-18)16-7-3-14(4-8-16)15-5-9-17(10-6-15)20(26)13-25/h3-10,18,20,25-26,28H,11-13H2,1-2H3,(H,23,27)/t18-,20+,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.000100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264773 (US9718792, 29) Show SMILES C\C=C(/F)c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:11| Show InChI InChI=1S/C17H21FN2O5S/c1-4-14(18)11-5-7-12(8-6-11)15-9-13(25-20-15)10-17(2,16(21)19-22)26(3,23)24/h4-8,13,22H,9-10H2,1-3H3,(H,19,21)/b14-4-/t13-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264776 (US9718792, 30) Show SMILES CC(O)C#CC#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:14| Show InChI InChI=1S/C20H22N2O6S/c1-14(23)6-4-5-7-15-8-10-16(11-9-15)18-12-17(28-22-18)13-20(2,19(24)21-25)29(3,26)27/h8-11,14,17,23,25H,12-13H2,1-3H3,(H,21,24)/t14?,17-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264779 (US9718792, 31) Show SMILES CCc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:9| Show InChI InChI=1S/C16H22N2O5S/c1-4-11-5-7-12(8-6-11)14-9-13(23-18-14)10-16(2,15(19)17-20)24(3,21)22/h5-8,13,20H,4,9-10H2,1-3H3,(H,17,19)/t13-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264782 (US9718792, 32) Show SMILES CCSc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:10| Show InChI InChI=1S/C16H22N2O5S2/c1-4-24-13-7-5-11(6-8-13)14-9-12(23-18-14)10-16(2,15(19)17-20)25(3,21)22/h5-8,12,20H,4,9-10H2,1-3H3,(H,17,19)/t12-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264791 (US9718792, 39A) Show SMILES [H][C@@]1(C[C@@]([H])(C1)C(C)(C)O)C#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:21.23,3.3,wD:23.25,1.0,t:20,(-5.07,.39,;-5.84,1.72,;-6.93,.63,;-8.02,1.72,;-8.79,3.05,;-6.93,2.81,;-9.56,1.72,;-10.33,.39,;-10.33,3.05,;-11.1,1.72,;-4.3,1.72,;-2.76,1.72,;-1.22,1.72,;-.45,3.05,;1.09,3.05,;1.86,1.72,;1.09,.39,;-.45,.39,;3.4,1.72,;4.3,2.96,;5.77,2.49,;5.77,.95,;7.1,.18,;8.43,.95,;7.66,2.28,;9.2,-.39,;10.74,-.39,;8.43,-1.72,;9.2,-3.05,;9.77,1.72,;10.54,.39,;9,3.05,;11.1,2.49,;4.3,.47,)| Show InChI InChI=1S/C23H30N2O6S/c1-22(2,27)18-11-16(12-18)6-5-15-7-9-17(10-8-15)20-13-19(31-25-20)14-23(3,21(26)24-28)32(4,29)30/h7-10,16,18-19,27-28H,11-14H2,1-4H3,(H,24,26)/t16-,18-,19-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264797 (US9718792, 40) Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(CCO)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5| Show InChI InChI=1S/C22H26N2O6S/c1-22(21(26)23-27,31(2,28)29)14-19-13-20(24-30-19)18-9-7-17(8-10-18)16-5-3-15(4-6-16)11-12-25/h3-10,19,25,27H,11-14H2,1-2H3,(H,23,26)/t19-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264800 (US9718792, 41) Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(CO)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5| Show InChI InChI=1S/C21H24N2O6S/c1-21(20(25)22-26,30(2,27)28)12-18-11-19(23-29-18)17-9-7-16(8-10-17)15-5-3-14(13-24)4-6-15/h3-10,18,24,26H,11-13H2,1-2H3,(H,22,25)/t18-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264803 (US9718792, 42) Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccncc1F)(C(=O)NO)S(C)(=O)=O |r,c:5| Show InChI InChI=1S/C19H20FN3O5S/c1-19(18(24)22-25,29(2,26)27)10-14-9-17(23-28-14)13-5-3-12(4-6-13)15-7-8-21-11-16(15)20/h3-8,11,14,25H,9-10H2,1-2H3,(H,22,24)/t14-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264809 (US9718792, 44) Show SMILES COC1CC(C1)C#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:17.19,wD:19.21,t:16,(-9.91,-4.86,;-8.57,-5.63,;-7.24,-4.86,;-6.84,-3.37,;-5.35,-3.77,;-5.75,-5.25,;-4.02,-3,;-2.69,-2.23,;-1.35,-1.46,;-1.35,.08,;-.02,.85,;1.32,.08,;1.32,-1.46,;-.02,-2.23,;2.65,.85,;2.65,2.39,;4.11,2.87,;5.02,1.62,;6.56,1.62,;7.33,2.96,;6,3.73,;8.42,1.87,;9.91,2.27,;8.02,.38,;9.11,-.71,;8.1,4.29,;9.43,3.52,;6.77,5.06,;8.87,5.63,;4.11,.38,)| Show InChI InChI=1S/C21H26N2O6S/c1-21(20(24)22-25,30(3,26)27)13-18-12-19(23-29-18)16-8-6-14(7-9-16)4-5-15-10-17(11-15)28-2/h6-9,15,17-18,25H,10-13H2,1-3H3,(H,22,24)/t15?,17?,18-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264812 (US9718792, 45) Show SMILES C[C@@H](O)Cc1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18| Show InChI InChI=1S/C23H28N2O6S/c1-15(26)12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-13-20(31-25-21)14-23(2,22(27)24-28)32(3,29)30/h4-11,15,20,26,28H,12-14H2,1-3H3,(H,24,27)/t15-,20-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264815 (US9718792, 46) Show SMILES C[C@H](O)Cc1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18| Show InChI InChI=1S/C23H28N2O6S/c1-15(26)12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-13-20(31-25-21)14-23(2,22(27)24-28)32(3,29)30/h4-11,15,20,26,28H,12-14H2,1-3H3,(H,24,27)/t15-,20+,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264818 (US9718792, 47) Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(CN2CCOCC2)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5| Show InChI InChI=1S/C25H31N3O6S/c1-25(24(29)26-30,35(2,31)32)16-22-15-23(27-34-22)21-9-7-20(8-10-21)19-5-3-18(4-6-19)17-28-11-13-33-14-12-28/h3-10,22,30H,11-17H2,1-2H3,(H,26,29)/t22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
					More data for this Ligand-Target Pair

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