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Compile Data Set for Download or QSAR

Found 417 hits Enz. Inhib. hit(s) with Target = '3-oxoacyl-[acyl-carrier-protein] synthase III'   
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
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245828
PNG
(2-Tosylnaphthalene-1,4-diol | CHEMBL509952)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C17H14O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10,18-19H,1H3
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n/an/a 0.610n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245923
PNG
(2-(naphthalen-2-ylsulfonyl)naphthalene-1,4-diol | ...)
Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H14O4S/c21-18-12-19(20(22)17-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,21-22H
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n/an/a 1.49n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245928
PNG
(2-tosylnaphthalene-1,4-dione | CHEMBL454282)
Show SMILES Cc1ccc(cc1)S(=O)(=O)C1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H12O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3
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n/an/a 1.99n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245877
PNG
(2-(phenylsulfonyl)naphthalene-1,4-diol | CHEMBL462...)
Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H12O4S/c17-14-10-15(16(18)13-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H
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n/an/a 2.84n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


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


(Streptococcus pyogenes)
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 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
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245880
PNG
(2-(4-propylphenylsulfonyl)naphthalene-1,4-diol | C...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C19H18O4S/c1-2-5-13-8-10-14(11-9-13)24(22,23)18-12-17(20)15-6-3-4-7-16(15)19(18)21/h3-4,6-12,20-21H,2,5H2,1H3
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n/an/a 3.09n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245829
PNG
(2-(methylsulfonyl)naphthalene-1,4-diol | CHEMBL491...)
Show SMILES CS(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C11H10O4S/c1-16(14,15)10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6,12-13H,1H3
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n/an/a 3.53n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245830
PNG
(3-(1,4-dihydroxynaphthalen-2-ylsulfonyl)propanoic ...)
Show SMILES OC(=O)CCS(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C13H12O6S/c14-10-7-11(20(18,19)6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7,14,17H,5-6H2,(H,15,16)
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n/an/a 3.53n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245879
PNG
(2-(4-chlorophenylsulfonyl)naphthalene-1,4-diol | C...)
Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClO4S/c17-10-5-7-11(8-6-10)22(20,21)15-9-14(18)12-3-1-2-4-13(12)16(15)19/h1-9,18-19H
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n/an/a 3.61n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245878
PNG
(CHEMBL512926 | N-(4-(1,4-dihydroxynaphthalen-2-yls...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C18H15NO5S/c1-11(20)19-12-6-8-13(9-7-12)25(23,24)17-10-16(21)14-4-2-3-5-15(14)18(17)22/h2-10,21-22H,1H3,(H,19,20)
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n/an/a 3.76n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Citation and Details
More data for this
Ligand-Target Pair
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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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)


(Streptococcus pyogenes)
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
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245924
PNG
(2-tosylanthracene-1,4-diol | CHEMBL451059)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2cc3ccccc3cc2c1O
Show InChI InChI=1S/C21H16O4S/c1-13-6-8-16(9-7-13)26(24,25)20-12-19(22)17-10-14-4-2-3-5-15(14)11-18(17)21(20)23/h2-12,22-23H,1H3
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n/an/a 8.47n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


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
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245926
PNG
(CHEMBL462376 | N-(4-(2,5-dihydroxyphenylsulfonyl)p...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C14H13NO5S/c1-9(16)15-10-2-5-12(6-3-10)21(19,20)14-8-11(17)4-7-13(14)18/h2-8,17-18H,1H3,(H,15,16)
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n/an/a 31.4n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


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


(Streptococcus pyogenes)
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 34n/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
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245925
PNG
(2-tosylbenzene-1,4-diol | CHEMBL462375)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C13H12O4S/c1-9-2-5-11(6-3-9)18(16,17)13-8-10(14)4-7-12(13)15/h2-8,14-15H,1H3
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n/an/a 34.4n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


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


(Streptococcus pyogenes)
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 50n/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)
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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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
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245831
PNG
(2-(p-tolylthio)naphthalene-1,4-dione | CHEMBL50155...)
Show SMILES Cc1ccc(SC2=CC(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H12O2S/c1-11-6-8-12(9-7-11)20-16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3
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n/an/a 112n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Citation and Details
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase III


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50245927
PNG
(2-tosylnaphthalene | CHEMBL462553)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H14O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3
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n/an/a 138n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


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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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)
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/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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PubMed
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
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