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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with Target = 'UDP-3-O-acyl-GlcNAc deacetylase (LpxC)' AND taxid = 224324   
Target
(Institution)
LigandTarget
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
pHTemp
°C
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92267
PNG
(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
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Article
1 -51.4n/an/an/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92269
PNG
(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
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Article
1 -51.4n/an/an/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92268
PNG
(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
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Article
1 -51.4n/an/an/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92262
PNG
(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
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Article
10 -45.7n/an/an/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92261
PNG
(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
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10 -45.7n/an/an/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23441
PNG
(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
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PubMed
n/an/an/a 9.00E+3n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23442
PNG
(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
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PubMed
n/an/an/a 8.60E+3n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23443
PNG
(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
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PubMed
n/an/an/a 6.40E+3n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23432
PNG
(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
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n/an/an/a>1.00E+5n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23433
PNG
(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
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PubMed
n/an/an/a 7.00E+3n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23434
PNG
(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
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n/an/an/a 900n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23435
PNG
(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
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PubMed
n/an/an/an/an/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23436
PNG
(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
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n/an/an/an/an/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23437
PNG
(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
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PubMed
n/an/an/a 3.50E+4n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23438
PNG
(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+
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PubMed
n/an/an/a 6.20E+3n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23439
PNG
(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
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PubMed
n/an/an/a 2.30E+3n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23440
PNG
(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
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PubMed
n/an/an/a 2.60E+3n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23444
PNG
(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
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n/an/an/a 3.00E+4n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23445
PNG
(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
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n/an/an/a 2.00E+3n/an/an/a7.030



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...


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92262
PNG
(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
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n/an/an/a 59n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92255
PNG
(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)
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Article
n/an/an/a>1.00E+5n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92266
PNG
(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
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n/an/an/a>1.00E+5n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92267
PNG
(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
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n/an/an/a 8n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92273
PNG
(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
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n/an/an/a>1.00E+5n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92282
PNG
(CS276)
Show SMILES ONC(=O)C1=C[SiH2]C(=N1)c1ccc(F)cc1
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)
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n/an/an/a 2.85E+4n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92265
PNG
(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
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n/an/an/a>1.00E+5n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92281
PNG
(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)
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n/an/an/a 2.15E+4n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92259
PNG
(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
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n/an/an/a 732n/an/an/a7.025



CSAR



Assay Description
ITC


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92259
PNG
(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
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n/an/an/a 145n/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92256
PNG
(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)
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n/an/an/a 9.34E+4n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92261
PNG
(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
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n/an/an/a 108n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92261
PNG
(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
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n/an/an/a 2.67E+3n/an/an/a7.025



CSAR



Assay Description
ITC


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92281
PNG
(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)
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n/an/an/a 1.82E+3n/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92259
PNG
(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
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n/an/an/a 393n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92258
PNG
(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)
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n/an/an/a 6.39E+4n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92264
PNG
(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
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n/an/an/a>1.00E+5n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92278
PNG
(CS271)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(F)c(c1)C(F)(F)F
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
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n/an/an/a 443n/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92270
PNG
(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
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n/an/an/a 75n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92274
PNG
(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
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n/an/an/a>1.00E+5n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92270
PNG
(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
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n/an/an/a 224n/an/an/a7.025



CSAR



Assay Description
ITC


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92279
PNG
(CS272)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1
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
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n/an/an/a 2.25E+3n/an/an/a7.025



CSAR



Assay Description
ITC


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92270
PNG
(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
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n/an/an/a 14n/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92279
PNG
(CS272)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1
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
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n/an/an/a 772n/an/an/a7.025



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92279
PNG
(CS272)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1
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
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Article
n/an/an/a 2.50E+3n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92284
PNG
(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)
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n/an/an/a 2.82E+4n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92278
PNG
(CS271)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(F)c(c1)C(F)(F)F
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
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Article
n/an/an/a 1.03E+3n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92278
PNG
(CS271)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(F)c(c1)C(F)(F)F
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
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Article
n/an/an/a 3.96E+3n/an/an/a7.025



CSAR



Assay Description
ITC


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92268
PNG
(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
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MMDB
PC cid
PC sid
PDB
UniChem

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Article
n/an/an/a 33n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92280
PNG
(CS274)
Show SMILES CCCc1ccc(cc1)-c1ccc(cc1)C1=N[C@H](CO1)C(=O)NO
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

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DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
n/an/an/a 1.56E+4n/an/an/a7.025



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92268
PNG
(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

AffyNet 
Article
n/an/an/a 122n/an/an/a7.025



CSAR



Assay Description
ITC


Citation and Details
More data for this
Ligand-Target Pair
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