Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 4674   

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 (Pseudomonas aeruginosa)	BDBM81714 (LpxC Inhibitor, L15) Show SMILES COc1ccc(cc1OC(F)(F)F)C1=N[C@@H](CO1)C(=O)NO |r,t:14| Show InChI InChI=1S/C12H11F3N2O5/c1-20-8-3-2-6(4-9(8)22-12(13,14)15)11-16-7(5-21-11)10(18)17-19/h2-4,7,19H,5H2,1H3,(H,17,18)/t7-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81705 (LpxC Inhibitor, L6) Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(OCc2cccc(F)c2)c(c1)C(F)(F)F |r,c:7| Show InChI InChI=1S/C18H14F4N2O4/c19-12-3-1-2-10(6-12)8-27-15-5-4-11(7-13(15)18(20,21)22)17-23-14(9-28-17)16(25)24-26/h1-7,14,26H,8-9H2,(H,24,25)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81700 (LpxC Inhibitor, L1) Show SMILES CCCc1cc(cc(OC(F)(F)F)c1OC)C1=N[C@H](CO1)C(=O)NO |r,t:17| Show InChI InChI=1S/C15H17F3N2O5/c1-3-4-8-5-9(14-19-10(7-24-14)13(21)20-22)6-11(12(8)23-2)25-15(16,17)18/h5-6,10,22H,3-4,7H2,1-2H3,(H,20,21)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81701 (LpxC Inhibitor, L2) Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(COc2cccc(c2)N(=O)=O)cc1 |r,c:7| Show InChI InChI=1S/C17H15N3O6/c21-16(19-22)15-10-26-17(18-15)12-6-4-11(5-7-12)9-25-14-3-1-2-13(8-14)20(23)24/h1-8,15,22H,9-10H2,(H,19,21)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81709 (LpxC Inhibitor, L10) Show SMILES CCOc1cc(ccc1F)C1=N[C@H](CO1)C(=O)NO |r,t:11| Show InChI InChI=1S/C12H13FN2O4/c1-2-18-10-5-7(3-4-8(10)13)12-14-9(6-19-12)11(16)15-17/h3-5,9,17H,2,6H2,1H3,(H,15,16)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81715 (LpxC Inhibitor, L16) Show SMILES ONC(=O)[C@@H]1COC(=N1)c1ccc(OCc2cccc(c2)N(=O)=O)cc1 |r,c:7| Show InChI InChI=1S/C17H15N3O6/c21-16(19-22)15-10-26-17(18-15)12-4-6-14(7-5-12)25-9-11-2-1-3-13(8-11)20(23)24/h1-8,15,22H,9-10H2,(H,19,21)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81702 (LpxC Inhibitor, L3) Show SMILES Cc1cc(ccc1F)C1=N[C@H](CO1)C(=O)NO |r,t:9| Show InChI InChI=1S/C11H11FN2O3/c1-6-4-7(2-3-8(6)12)11-13-9(5-17-11)10(15)14-16/h2-4,9,16H,5H2,1H3,(H,14,15)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81703 (LpxC Inhibitor, L4) Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(OCC=C)c(c1)C(F)(F)F |r,c:7| Show InChI InChI=1S/C14H13F3N2O4/c1-2-5-22-11-4-3-8(6-9(11)14(15,16)17)13-18-10(7-23-13)12(20)19-21/h2-4,6,10,21H,1,5,7H2,(H,19,20)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81707 (CS273 | LpxC Inhibitor, L8) Show SMILES CN(C)c1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |r,t:10| Show InChI InChI=1S/C12H15N3O3/c1-15(2)9-5-3-8(4-6-9)12-13-10(7-18-12)11(16)14-17/h3-6,10,17H,7H2,1-2H3,(H,14,16)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81708 (LpxC Inhibitor, L9) Show SMILES ONC(=O)[C@H]1COC(=N1)c1n[nH]c2ccccc12 |r,c:7| Show InChI InChI=1S/C11H10N4O3/c16-10(15-17)8-5-18-11(12-8)9-6-3-1-2-4-7(6)13-14-9/h1-4,8,17H,5H2,(H,13,14)(H,15,16)/t8-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81710 (LpxC Inhibitor, L11) Show SMILES CCCCn1nc(C2=N[C@H](CO2)C(=O)NO)c2ccccc12 |r,t:7| Show InChI InChI=1S/C15H18N4O3/c1-2-3-8-19-12-7-5-4-6-10(12)13(17-19)15-16-11(9-22-15)14(20)18-21/h4-7,11,21H,2-3,8-9H2,1H3,(H,18,20)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81711 (LpxC Inhibitor, L12) Show SMILES CCCCn1nc2ccccc2c1C1=N[C@H](CO1)C(=O)NO |r,t:15| Show InChI InChI=1S/C15H18N4O3/c1-2-3-8-19-13(10-6-4-5-7-11(10)17-19)15-16-12(9-22-15)14(20)18-21/h4-7,12,21H,2-3,8-9H2,1H3,(H,18,20)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81704 (LpxC Inhibitor, L5) Show SMILES OC[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NO |r| Show InChI InChI=1S/C11H12N4O4/c16-5-8(10(17)15-19)12-11(18)9-6-3-1-2-4-7(6)13-14-9/h1-4,8,16,19H,5H2,(H,12,18)(H,13,14)(H,15,17)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81713 (LpxC Inhibitor, L14) Show SMILES CCCc1cc(cc(OC(F)(F)F)c1OC)C1=N[C@@H](CS1)C(=O)NO |r,t:17| Show InChI InChI=1S/C15H17F3N2O4S/c1-3-4-8-5-9(14-19-10(7-25-14)13(21)20-22)6-11(12(8)23-2)24-15(16,17)18/h5-6,10,22H,3-4,7H2,1-2H3,(H,20,21)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81706 (LpxC Inhibitor, L7) Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc(F)cc(c1)C(F)(F)F |r,c:7| Show InChI InChI=1S/C11H8F4N2O3/c12-7-2-5(1-6(3-7)11(13,14)15)10-16-8(4-20-10)9(18)17-19/h1-3,8,19H,4H2,(H,17,18)/t8-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81716 (LpxC Inhibitor, L17) Show SMILES ONC(=O)[C@@H]1COC(=N1)c1ccc(O)cc1 |r,c:7| Show InChI InChI=1S/C10H10N2O4/c13-7-3-1-6(2-4-7)10-11-8(5-16-10)9(14)12-15/h1-4,8,13,15H,5H2,(H,12,14)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81717 (LpxC Inhibitor, L18) Show SMILES Cc1ccc(cc1)C1=N[C@@H](CS1)C(=O)NO |r,t:8| Show InChI InChI=1S/C11H12N2O2S/c1-7-2-4-8(5-3-7)11-12-9(6-16-11)10(14)13-15/h2-5,9,15H,6H2,1H3,(H,13,14)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81712 (LpxC Inhibitor, L13) Show SMILES CCCc1cc(cc(OC(C)(C)C)c1OC)C(=O)N[C@@H](CO)C(=O)NO |r| Show InChI InChI=1S/C18H28N2O6/c1-6-7-11-8-12(16(22)19-13(10-21)17(23)20-24)9-14(15(11)25-5)26-18(2,3)4/h8-9,13,21,24H,6-7,10H2,1-5H3,(H,19,22)(H,20,23)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
					More data for this Ligand-Target Pair