Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'UDP-3-O-acyl-N-acetylglucosamine deacetylase' and Ligand = 'BDBM50074960'   

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)	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)	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)	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 (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)	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 PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase using direct deacetylase assay (DEACET) in E. coli strain JB 1104				Bioorg Med Chem Lett 9: 313-8 (1999) BindingDB Entry DOI: 10.7270/Q2CJ8CNN
					More data for this Ligand-Target Pair				3D Structure (crystal)