Compile Data Set for Download or QSAR

Found 69 hits of affinity data for UniProtKB/TrEMBL: O67648   

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 (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 (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)	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 (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)	BDBM23432 (octanoate | octanoate, 1 | octanoic acid | octanoi...) Show SMILES CCCCCCCC([O-])=O Show InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23433 (decanoate | decanoate, 2) Show SMILES CCCCCCCCCC([O-])=O Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23434 (dodecanoate | dodecanoate, 3) Show SMILES CCCCCCCCCCCC([O-])=O Show InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23435 (4-methoxybenzoate | 4-methoxybenzoate, 4 | CHEMBL1...) Show SMILES COc1ccc(cc1)C([O-])=O Show InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23436 (4-(4-propylphenyl)benzoate | benzoic acid derivati...) Show SMILES CCCc1ccc(cc1)-c1ccc(cc1)C([O-])=O Show InChI InChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23437 (4-heptylbenzoate | benzoic acid derivative, 6) Show SMILES CCCCCCCc1ccc(cc1)C([O-])=O Show InChI InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.50E+4	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23438 (4-[(1E)-oct-1-en-1-yl]benzoate | benzoic acid deri...) Show SMILES CCCCCC\C=C\c1ccc(cc1)C([O-])=O Show InChI InChI=1S/C15H20O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h7-12H,2-6H2,1H3,(H,16,17)/p-1/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23439 (4-(heptyloxy)benzoate | benzoic acid derivative, 8) Show SMILES CCCCCCCOc1ccc(cc1)C([O-])=O Show InChI InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23440 (2-[4-(heptyloxy)phenyl]acetate | [4-(heptyloxy)phe...) Show SMILES CCCCCCCOc1ccc(CC([O-])=O)cc1 Show InChI InChI=1S/C15H22O3/c1-2-3-4-5-6-11-18-14-9-7-13(8-10-14)12-15(16)17/h7-10H,2-6,11-12H2,1H3,(H,16,17)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23441 (4-(heptyloxy)-3-hydroxybenzoate | benzoic acid der...) Show SMILES CCCCCCCOc1ccc(cc1O)C([O-])=O Show InChI InChI=1S/C14H20O4/c1-2-3-4-5-6-9-18-13-8-7-11(14(16)17)10-12(13)15/h7-8,10,15H,2-6,9H2,1H3,(H,16,17)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23442 (4-(heptyloxy)-3-methoxybenzoate | benzoic acid der...) Show SMILES CCCCCCCOc1ccc(cc1OC)C([O-])=O Show InChI InChI=1S/C15H22O4/c1-3-4-5-6-7-10-19-13-9-8-12(15(16)17)11-14(13)18-2/h8-9,11H,3-7,10H2,1-2H3,(H,16,17)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.60E+3	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23443 (4-(heptyloxy)-3-nitrobenzoate | benzoic acid deriv...) Show SMILES CCCCCCCOc1ccc(cc1[N+]([O-])=O)C([O-])=O Show InChI InChI=1S/C14H19NO5/c1-2-3-4-5-6-9-20-13-8-7-11(14(16)17)10-12(13)15(18)19/h7-8,10H,2-6,9H2,1H3,(H,16,17)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23444 (3-chloro-4-(heptyloxy)benzoate | benzoic acid deri...) Show SMILES CCCCCCCOc1ccc(cc1Cl)C([O-])=O Show InChI InChI=1S/C14H19ClO3/c1-2-3-4-5-6-9-18-13-8-7-11(14(16)17)10-12(13)15/h7-8,10H,2-6,9H2,1H3,(H,16,17)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23445 (3-(heptyloxy)benzoate | benzoic acid derivative, 1...) Show SMILES CCCCCCCOc1cccc(c1)C([O-])=O Show InChI InChI=1S/C14H20O3/c1-2-3-4-5-6-10-17-13-9-7-8-12(11-13)14(15)16/h7-9,11H,2-6,10H2,1H3,(H,15,16)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					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	n/a	n/a	n/a	59	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92255 (CS021 | CS21) Show SMILES CC1(CNC(=O)c2ccc(cc2)-c2ccccc2)NC(=O)NC1=O Show InChI InChI=1S/C18H17N3O3/c1-18(16(23)20-17(24)21-18)11-19-15(22)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,22)(H2,20,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92266 (CS256) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NCC1(C)NC(=O)NC1=O Show InChI InChI=1S/C22H23BrN4O5/c1-12(28)17(19(30)24-11-22(2)20(31)26-21(32)27-22)25-18(29)15-5-3-13(4-6-15)14-7-9-16(23)10-8-14/h3-10,12,17,28H,11H2,1-2H3,(H,24,30)(H,25,29)(H2,26,27,31,32)/t12-,17+,22?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				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	n/a	n/a	n/a	8	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92273 (CS266) Show SMILES CC1(CNC(=O)[C@H](CN)NC(=O)c2ccc(cc2)C#Cc2ccccc2)NC(=O)NC1=O Show InChI InChI=1S/C23H23N5O4/c1-23(21(31)27-22(32)28-23)14-25-20(30)18(13-24)26-19(29)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h2-6,9-12,18H,13-14,24H2,1H3,(H,25,30)(H,26,29)(H2,27,28,31,32)/t18-,23?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92282 (CS276) Show SMILES ONC(=O)C1=C[SiH2]C(=N1)c1ccc(F)cc1 |c:7,t:4| Show InChI InChI=1S/C10H9FN2O2Si/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,16H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	2.85E+4	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92265 (CS255) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NCC1(C)NC(=O)NC1=O Show InChI InChI=1S/C26H24N4O5/c1-17(31)21(23(33)27-16-26(2)24(34)29-25(35)30-26)28-22(32)20-14-12-19(13-15-20)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-15,17,21,31H,16H2,1-2H3,(H,27,33)(H,28,32)(H2,29,30,34,35)/t17-,21+,26?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92281 (CS275) Show SMILES ONC(=O)c1csc(n1)-c1ccc(OC(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C11H6ClF3N2O3S/c12-6-3-5(1-2-8(6)20-11(13,14)15)10-16-7(4-21-10)9(18)17-19/h1-4,19H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	2.15E+4	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92259 (CS249) Show SMILES NC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C16H17N3O3/c17-10-14(16(21)19-22)18-15(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,22H,10,17H2,(H,18,20)(H,19,21)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	732	n/a	n/a	n/a	7.0	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92259 (CS249) Show SMILES NC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C16H17N3O3/c17-10-14(16(21)19-22)18-15(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,22H,10,17H2,(H,18,20)(H,19,21)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	145	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)	BDBM92256 (CS022 | CS22) Show SMILES CC1(CNC(=O)c2ccc(cc2)C#Cc2ccccc2)NC(=O)NC1=O Show InChI InChI=1S/C20H17N3O3/c1-20(18(25)22-19(26)23-20)13-21-17(24)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,13H2,1H3,(H,21,24)(H2,22,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	9.34E+4	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					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	n/a	n/a	n/a	108	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					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	n/a	n/a	n/a	2.67E+3	n/a	n/a	n/a	7.0	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92281 (CS275) Show SMILES ONC(=O)c1csc(n1)-c1ccc(OC(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C11H6ClF3N2O3S/c12-6-3-5(1-2-8(6)20-11(13,14)15)10-16-7(4-21-10)9(18)17-19/h1-4,19H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.82E+3	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)	BDBM92259 (CS249) Show SMILES NC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C16H17N3O3/c17-10-14(16(21)19-22)18-15(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,22H,10,17H2,(H,18,20)(H,19,21)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	393	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92258 (CS243) Show SMILES CC1(CNC(=O)c2ccc(cc2)C#CC#Cc2ccccc2)NC(=O)NC1=O Show InChI InChI=1S/C22H17N3O3/c1-22(20(27)24-21(28)25-22)15-23-19(26)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14H,15H2,1H3,(H,23,26)(H2,24,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.39E+4	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92264 (CS254) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NCC1(C)NC(=O)NC1=O Show InChI InChI=1S/C24H24N4O5/c1-15(29)19(21(31)25-14-24(2)22(32)27-23(33)28-24)26-20(30)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-7,10-13,15,19,29H,14H2,1-2H3,(H,25,31)(H,26,30)(H2,27,28,32,33)/t15-,19+,24?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92278 (CS271) Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(F)c(c1)C(F)(F)F |c:7| Show InChI InChI=1S/C11H8F4N2O3/c12-7-2-1-5(3-6(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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	443	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)	BDBM92270 (CS263) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C17H18N2O4/c1-11(20)15(17(22)19-23)18-16(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15,20,23H,1H3,(H,18,21)(H,19,22)/t11-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	75	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92274 (CS267) Show SMILES CC1(CNC(=O)[C@H](CN)NC(=O)c2ccc(cc2)-c2ccc(Br)cc2)NC(=O)NC1=O Show InChI InChI=1S/C21H22BrN5O4/c1-21(19(30)26-20(31)27-21)11-24-18(29)16(10-23)25-17(28)14-4-2-12(3-5-14)13-6-8-15(22)9-7-13/h2-9,16H,10-11,23H2,1H3,(H,24,29)(H,25,28)(H2,26,27,30,31)/t16-,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92270 (CS263) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C17H18N2O4/c1-11(20)15(17(22)19-23)18-16(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15,20,23H,1H3,(H,18,21)(H,19,22)/t11-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	224	n/a	n/a	n/a	7.0	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92279 (CS272) Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1 |c:7| Show InChI InChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.25E+3	n/a	n/a	n/a	7.0	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92270 (CS263) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C17H18N2O4/c1-11(20)15(17(22)19-23)18-16(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15,20,23H,1H3,(H,18,21)(H,19,22)/t11-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	14	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)	BDBM92279 (CS272) Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1 |c:7| Show InChI InChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	772	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)	BDBM92279 (CS272) Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1 |c:7| Show InChI InChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92284 (CS278) Show SMILES CN(C)c1ccc(cc1)-c1nc(cs1)C(=O)NO Show InChI InChI=1S/C12H13N3O2S/c1-15(2)9-5-3-8(4-6-9)12-13-10(7-18-12)11(16)14-17/h3-7,17H,1-2H3,(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	2.82E+4	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92278 (CS271) Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(F)c(c1)C(F)(F)F |c:7| Show InChI InChI=1S/C11H8F4N2O3/c12-7-2-1-5(3-6(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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.03E+3	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92278 (CS271) Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(F)c(c1)C(F)(F)F |c:7| Show InChI InChI=1S/C11H8F4N2O3/c12-7-2-1-5(3-6(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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.96E+3	n/a	n/a	n/a	7.0	25
CSAR					Assay Description ITC				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	n/a	n/a	n/a	33	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92280 (CS274) Show SMILES CCCc1ccc(cc1)-c1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |t:17| Show InChI InChI=1S/C19H20N2O3/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)19-20-17(12-24-19)18(22)21-23/h4-11,17,23H,2-3,12H2,1H3,(H,21,22)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.56E+4	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				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	n/a	n/a	n/a	122	n/a	n/a	n/a	7.0	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair

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