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Found 89 hits Enz. Inhib. hit(s) with Target = 'Beta-ketoacyl-ACP synthase III (FabH)' AND taxid = 226185   
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
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM50412347
PNG
(CHEMBL499343)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cc(O)c(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO5/c28-22-15-18(25(29)27-21-14-8-7-13-20(21)26(30)31)16-23(32-19-11-5-2-6-12-19)24(22)17-9-3-1-4-10-17/h1-16,28H,(H,27,29)(H,30,31)
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PubMed
n/an/a 4n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23587
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 33 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO5/c28-22-13-7-12-21(24(22)26(30)31)27-25(29)18-14-15-20(17-8-3-1-4-9-17)23(16-18)32-19-10-5-2-6-11-19/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23585
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 28n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23585
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 28.1n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23584
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
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n/an/a 56.0n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23584
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
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n/an/a 56n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
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n/an/a 62n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM50412351
PNG
(CHEMBL499342)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cc(O)c(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-18-16(23)10-12(11-17(18)27-13-6-2-1-3-7-13)19(24)22-15-9-5-4-8-14(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
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n/an/a 62.1n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23595
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24d | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H18F3NO4/c28-27(29,30)19-13-10-17(11-14-19)21-15-12-18(16-24(21)35-20-6-2-1-3-7-20)25(32)31-23-9-5-4-8-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)
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n/an/a 95.9n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23595
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24d | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H18F3NO4/c28-27(29,30)19-13-10-17(11-14-19)21-15-12-18(16-24(21)35-20-6-2-1-3-7-20)25(32)31-23-9-5-4-8-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)
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n/an/a 96n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23594
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24b | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccnc1
Show InChI InChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30)
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PubMed
n/an/a 110n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23594
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24b | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccnc1
Show InChI InChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30)
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n/an/a 110n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23606
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24p | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)cc1F
Show InChI InChI=1S/C26H17F2NO4/c27-17-11-13-19(22(28)15-17)20-12-10-16(14-24(20)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-21(23)26(31)32/h1-15H,(H,29,30)(H,31,32)
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n/an/a 160n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23596
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24e | ...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO4/c1-18-11-13-19(14-12-18)22-16-15-20(17-25(22)32-21-7-3-2-4-8-21)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 160n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23606
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24p | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)cc1F
Show InChI InChI=1S/C26H17F2NO4/c27-17-11-13-19(22(28)15-17)20-12-10-16(14-24(20)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-21(23)26(31)32/h1-15H,(H,29,30)(H,31,32)
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n/an/a 160n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23596
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24e | ...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO4/c1-18-11-13-19(14-12-18)22-16-15-20(17-25(22)32-21-7-3-2-4-8-21)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 160n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23599
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24h | ...)
Show SMILES CCOc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C28H23NO5/c1-2-33-21-15-12-19(13-16-21)23-17-14-20(18-26(23)34-22-8-4-3-5-9-22)27(30)29-25-11-7-6-10-24(25)28(31)32/h3-18H,2H2,1H3,(H,29,30)(H,31,32)
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n/an/a 220n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23599
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24h | ...)
Show SMILES CCOc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C28H23NO5/c1-2-33-21-15-12-19(13-16-21)23-17-14-20(18-26(23)34-22-8-4-3-5-9-22)27(30)29-25-11-7-6-10-24(25)28(31)32/h3-18H,2H2,1H3,(H,29,30)(H,31,32)
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n/an/a 220n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23602
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24l | ...)
Show SMILES Cc1cc(ccc1F)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H20FNO4/c1-17-15-18(12-14-23(17)28)21-13-11-19(16-25(21)33-20-7-3-2-4-8-20)26(30)29-24-10-6-5-9-22(24)27(31)32/h2-16H,1H3,(H,29,30)(H,31,32)
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n/an/a 240n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23602
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24l | ...)
Show SMILES Cc1cc(ccc1F)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H20FNO4/c1-17-15-18(12-14-23(17)28)21-13-11-19(16-25(21)33-20-7-3-2-4-8-20)26(30)29-24-10-6-5-9-22(24)27(31)32/h2-16H,1H3,(H,29,30)(H,31,32)
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n/an/a 240n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23605
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24o | ...)
Show SMILES Cc1cc(ccc1Cl)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H20ClNO4/c1-17-15-18(12-14-23(17)28)21-13-11-19(16-25(21)33-20-7-3-2-4-8-20)26(30)29-24-10-6-5-9-22(24)27(31)32/h2-16H,1H3,(H,29,30)(H,31,32)
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PubMed
n/an/a 250n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23605
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24o | ...)
Show SMILES Cc1cc(ccc1Cl)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H20ClNO4/c1-17-15-18(12-14-23(17)28)21-13-11-19(16-25(21)33-20-7-3-2-4-8-20)26(30)29-24-10-6-5-9-22(24)27(31)32/h2-16H,1H3,(H,29,30)(H,31,32)
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n/an/a 250n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23592
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23i | ...)
Show SMILES CC1CC(C)CN(C1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)
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n/an/a 270n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23592
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23i | ...)
Show SMILES CC1CC(C)CN(C1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)
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n/an/a 270n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23591
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23h | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C25H24N2O4/c28-24(26-21-12-6-5-11-20(21)25(29)30)18-13-14-22(27-15-7-2-8-16-27)23(17-18)31-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28)(H,29,30)
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n/an/a 290n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23591
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23h | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C25H24N2O4/c28-24(26-21-12-6-5-11-20(21)25(29)30)18-13-14-22(27-15-7-2-8-16-27)23(17-18)31-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28)(H,29,30)
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n/an/a 290n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23604
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24n | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C26H17F2NO4/c27-21-13-11-16(14-22(21)28)19-12-10-17(15-24(19)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-20(23)26(31)32/h1-15H,(H,29,30)(H,31,32)
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n/an/a 330n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23604
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24n | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C26H17F2NO4/c27-21-13-11-16(14-22(21)28)19-12-10-17(15-24(19)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-20(23)26(31)32/h1-15H,(H,29,30)(H,31,32)
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n/an/a 330n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23598
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24g | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(O)cc1
Show InChI InChI=1S/C26H19NO5/c28-19-13-10-17(11-14-19)21-15-12-18(16-24(21)32-20-6-2-1-3-7-20)25(29)27-23-9-5-4-8-22(23)26(30)31/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 410n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23612
PNG
(2-hydroxy-6-[(3-phenoxybenzene)amido]benzoic acid ...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C20H15NO5/c22-17-11-5-10-16(18(17)20(24)25)21-19(23)13-6-4-9-15(12-13)26-14-7-2-1-3-8-14/h1-12,22H,(H,21,23)(H,24,25)
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n/an/a 410n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23598
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24g | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(O)cc1
Show InChI InChI=1S/C26H19NO5/c28-19-13-10-17(11-14-19)21-15-12-18(16-24(21)32-20-6-2-1-3-7-20)25(29)27-23-9-5-4-8-22(23)26(30)31/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 410n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM50412350
PNG
(CHEMBL500928)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cc(O)cc(Oc2ccccc2)c1
Show InChI InChI=1S/C20H15NO5/c22-14-10-13(11-16(12-14)26-15-6-2-1-3-7-15)19(23)21-18-9-5-4-8-17(18)20(24)25/h1-12,22H,(H,21,23)(H,24,25)
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n/an/a 410n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23601
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24k | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C27H18F3NO5/c28-27(29,30)36-20-10-6-7-17(15-20)21-14-13-18(16-24(21)35-19-8-2-1-3-9-19)25(32)31-23-12-5-4-11-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)
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n/an/a 470n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23601
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24k | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C27H18F3NO5/c28-27(29,30)36-20-10-6-7-17(15-20)21-14-13-18(16-24(21)35-19-8-2-1-3-9-19)25(32)31-23-12-5-4-11-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)
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n/an/a 470n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23603
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24m | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C26H17ClFNO4/c27-21-14-16(11-13-22(21)28)19-12-10-17(15-24(19)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-20(23)26(31)32/h1-15H,(H,29,30)(H,31,32)
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n/an/a 570n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23603
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24m | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C26H17ClFNO4/c27-21-14-16(11-13-22(21)28)19-12-10-17(15-24(19)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-20(23)26(31)32/h1-15H,(H,29,30)(H,31,32)
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n/an/a 570n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23600
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24j | ...)
Show SMILES CC(C)c1cccc(c1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C29H25NO4/c1-19(2)20-9-8-10-21(17-20)24-16-15-22(18-27(24)34-23-11-4-3-5-12-23)28(31)30-26-14-7-6-13-25(26)29(32)33/h3-19H,1-2H3,(H,30,31)(H,32,33)
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n/an/a 790n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23600
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24j | ...)
Show SMILES CC(C)c1cccc(c1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C29H25NO4/c1-19(2)20-9-8-10-21(17-20)24-16-15-22(18-27(24)34-23-11-4-3-5-12-23)28(31)30-26-14-7-6-13-25(26)29(32)33/h3-19H,1-2H3,(H,30,31)(H,32,33)
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n/an/a 791n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23581
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23b | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO4/c21-16-11-10-13(12-18(16)26-14-6-2-1-3-7-14)19(23)22-17-9-5-4-8-15(17)20(24)25/h1-12H,(H,22,23)(H,24,25)
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n/an/a 1.10E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23581
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23b | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO4/c21-16-11-10-13(12-18(16)26-14-6-2-1-3-7-14)19(23)22-17-9-5-4-8-15(17)20(24)25/h1-12H,(H,22,23)(H,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23590
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23g | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCSCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C24H22N2O4S/c27-23(25-20-9-5-4-8-19(20)24(28)29)17-10-11-21(26-12-14-31-15-13-26)22(16-17)30-18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,27)(H,28,29)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23590
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23g | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCSCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C24H22N2O4S/c27-23(25-20-9-5-4-8-19(20)24(28)29)17-10-11-21(26-12-14-31-15-13-26)22(16-17)30-18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,27)(H,28,29)
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n/an/a 1.20E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23570
PNG
(2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benz...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
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n/an/a 1.60E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23572
PNG
(2-{[3-(diethylsulfamoyl)-4-phenylbenzene]amido}ben...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1-c1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-3-26(4-2)32(30,31)22-16-18(14-15-19(22)17-10-6-5-7-11-17)23(27)25-21-13-9-8-12-20(21)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 1.60E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23570
PNG
(2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benz...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23572
PNG
(2-{[3-(diethylsulfamoyl)-4-phenylbenzene]amido}ben...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1-c1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-3-26(4-2)32(30,31)22-16-18(14-15-19(22)17-10-6-5-7-11-17)23(27)25-21-13-9-8-12-20(21)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23597
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24f | ...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H19NO6/c29-25(28-23-9-5-4-8-22(23)27(32)33)19-14-15-21(17-10-12-18(13-11-17)26(30)31)24(16-19)34-20-6-2-1-3-7-20/h1-16H,(H,28,29)(H,30,31)(H,32,33)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23578
PNG
(2-{[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)ben...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1OCC1CCCC1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C24H30N2O6S/c1-3-26(4-2)33(30,31)22-15-18(13-14-21(22)32-16-17-9-5-6-10-17)23(27)25-20-12-8-7-11-19(20)24(28)29/h7-8,11-15,17H,3-6,9-10,16H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23578
PNG
(2-{[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)ben...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1OCC1CCCC1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C24H30N2O6S/c1-3-26(4-2)33(30,31)22-15-18(13-14-21(22)32-16-17-9-5-6-10-17)23(27)25-20-12-8-7-11-19(20)24(28)29/h7-8,11-15,17H,3-6,9-10,16H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 2.10E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23597
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24f | ...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H19NO6/c29-25(28-23-9-5-4-8-22(23)27(32)33)19-14-15-21(17-10-12-18(13-11-17)26(30)31)24(16-19)34-20-6-2-1-3-7-20/h1-16H,(H,28,29)(H,30,31)(H,32,33)
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Article
PubMed
n/an/a 2.10E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


Citation and Details
More data for this
Ligand-Target Pair
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