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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with Target = 'Phospholipase D (PldA)'   
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
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154526
PNG
(22B1 (17i))
Show SMILES Oc1ccc(cc1)-c1c(sc2ccccc12)-c1cccc(O)c1
Show InChI InChI=1S/C20H14O2S/c21-15-10-8-13(9-11-15)19-17-6-1-2-7-18(17)23-20(19)14-4-3-5-16(22)12-14/h1-12,21-22H
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n/an/a 2.10E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154528
PNG
(234H (17l))
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27NO2S/c1-29-22-12-10-21(11-13-22)27-26(24-6-2-3-7-25(24)31-27)20-8-14-23(15-9-20)30-19-18-28-16-4-5-17-28/h2-3,6-15H,4-5,16-19H2,1H3
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n/an/a 2.95E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM75443
PNG
(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154520
PNG
(1M39 (17a))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C21H16O2S/c1-23-17-6-4-5-15(13-17)21-20(14-9-11-16(22)12-10-14)18-7-2-3-8-19(18)24-21/h2-13,22H,1H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154524
PNG
(23VK (17g))
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCC2=O)cc1
Show InChI InChI=1S/C26H23NO4S/c28-19-7-3-18(4-8-19)26-25(22-12-9-20(29)16-23(22)32-26)17-5-10-21(11-6-17)31-15-14-27-13-1-2-24(27)30/h3-12,16,28-29H,1-2,13-15H2
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n/an/a 6.80E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154520
PNG
(1M39 (17a))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C21H16O2S/c1-23-17-6-4-5-15(13-17)21-20(14-9-11-16(22)12-10-14)18-7-2-3-8-19(18)24-21/h2-13,22H,1H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154519
PNG
(Desketoraloxifene (10))
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c29-21-8-4-20(5-9-21)27-26(24-13-10-22(30)18-25(24)32-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2
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n/an/a 8.70E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154519
PNG
(Desketoraloxifene (10))
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c29-21-8-4-20(5-9-21)27-26(24-13-10-22(30)18-25(24)32-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2
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n/an/a 9.90E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154519
PNG
(Desketoraloxifene (10))
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c29-21-8-4-20(5-9-21)27-26(24-13-10-22(30)18-25(24)32-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2
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n/an/a 9.90E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154522
PNG
(24F1 (17e))
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C24H23NO3S/c1-25(2)13-14-28-20-10-5-16(6-11-20)23-21-12-9-19(27)15-22(21)29-24(23)17-3-7-18(26)8-4-17/h3-12,15,26-27H,13-14H2,1-2H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154523
PNG
(24DY (17f))
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H25NO3S/c28-20-7-3-19(4-8-20)26-25(23-12-9-21(29)17-24(23)31-26)18-5-10-22(11-6-18)30-16-15-27-13-1-2-14-27/h3-12,17,28-29H,1-2,13-16H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154525
PNG
(24F0 (17h))
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C26H25NO4S/c28-20-5-1-19(2-6-20)26-25(23-10-7-21(29)17-24(23)32-26)18-3-8-22(9-4-18)31-16-13-27-11-14-30-15-12-27/h1-10,17,28-29H,11-16H2
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n/an/a 1.21E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 1.50E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
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n/an/a 1.61E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM75441
PNG
(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27NO2S/c1-29-23-8-6-7-21(19-23)27-26(24-9-2-3-10-25(24)31-27)20-11-13-22(14-12-20)30-18-17-28-15-4-5-16-28/h2-3,6-14,19H,4-5,15-18H2,1H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154526
PNG
(22B1 (17i))
Show SMILES Oc1ccc(cc1)-c1c(sc2ccccc12)-c1cccc(O)c1
Show InChI InChI=1S/C20H14O2S/c21-15-10-8-13(9-11-15)19-17-6-1-2-7-18(17)23-20(19)14-4-3-5-16(22)12-14/h1-12,21-22H
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n/an/a 1.78E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 1.80E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154518
PNG
(ML395 (6))
Show SMILES O=C(NCCN1CCC2(CC1)N(Cc1cccnc1)CNC2=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O2/c32-24(23-8-7-21-5-1-2-6-22(21)16-23)28-12-15-30-13-9-26(10-14-30)25(33)29-19-31(26)18-20-4-3-11-27-17-20/h1-8,11,16-17H,9-10,12-15,18-19H2,(H,28,32)(H,29,33)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM87245
PNG
(CHEMBL492797 | ML272 | N-(2-(4-(2-Oxo-2,3-dihydro-...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM87119
PNG
((1R,2R)-N-[(1S)-2-[4-(5-bromo-2-keto-3H-benzimidaz...)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20-,21+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154527
PNG
(2336 (17j))
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C21H16O2S/c1-23-17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)24-21/h2-13,22H,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


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Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154517
PNG
(ML299 (5))
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


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More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM87123
PNG
(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM75441
PNG
(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27NO2S/c1-29-23-8-6-7-21(19-23)27-26(24-9-2-3-10-25(24)31-27)20-11-13-22(14-12-20)30-18-17-28-15-4-5-16-28/h2-3,6-14,19H,4-5,15-18H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154521
PNG
(22GY (17d))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-23-6-4-5-21(19-23)27-26(24-7-2-3-8-25(24)32-27)20-9-11-22(12-10-20)31-18-15-28-13-16-30-17-14-28/h2-12,19H,13-18H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM87120
PNG
(CHEMBL1254577 | N-[2-[1-(3-fluorophenyl)-4-keto-1,...)
Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154528
PNG
(234H (17l))
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27NO2S/c1-29-22-12-10-21(11-13-22)27-26(24-6-2-3-7-25(24)31-27)20-8-14-23(15-9-20)30-19-18-28-16-4-5-17-28/h2-3,6-15H,4-5,16-19H2,1H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM75443
PNG
(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3
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n/an/a 2.24E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154521
PNG
(22GY (17d))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-23-6-4-5-21(19-23)27-26(24-7-2-3-8-25(24)32-27)20-9-11-22(12-10-20)31-18-15-28-13-16-30-17-14-28/h2-12,19H,13-18H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154527
PNG
(2336 (17j))
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C21H16O2S/c1-23-17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)24-21/h2-13,22H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


Citation and Details
More data for this
Ligand-Target Pair