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PubMed code 14684293

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137236
PNG
(5-Acetylamino-2-{[2-(3-fluoro-4-trifluoromethyl-ph...)
Show SMILES CC(=O)Nc1ccc(\N=C\c2nc(oc2O)-c2ccc(c(F)c2)C(F)(F)F)c(c1)C(O)=O
Show InChI InChI=1S/C20H13F4N3O5/c1-9(28)26-11-3-5-15(12(7-11)18(29)30)25-8-16-19(31)32-17(27-16)10-2-4-13(14(21)6-10)20(22,23)24/h2-8,31H,1H3,(H,26,28)(H,29,30)/b25-8+
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n/an/a 130n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137238
PNG
(2-{[2-(3-Fluoro-4-trifluoromethyl-phenyl)-5-oxo-ox...)
Show SMILES Cc1ccc(\N=C\c2nc(oc2O)-c2ccc(c(F)c2)C(F)(F)F)c(c1)C(O)=O
Show InChI InChI=1S/C19H12F4N2O4/c1-9-2-5-14(11(6-9)17(26)27)24-8-15-18(28)29-16(25-15)10-3-4-12(13(20)7-10)19(21,22)23/h2-8,28H,1H3,(H,26,27)/b24-8+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137242
PNG
(5-Methyl-2-{[5-oxo-2-(4-trifluoromethyl-phenyl)-ox...)
Show SMILES Cc1ccc(\N=C\c2nc(oc2O)-c2ccc(cc2)C(F)(F)F)c(c1)C(O)=O
Show InChI InChI=1S/C19H13F3N2O4/c1-10-2-7-14(13(8-10)17(25)26)23-9-15-18(27)28-16(24-15)11-3-5-12(6-4-11)19(20,21)22/h2-9,27H,1H3,(H,25,26)/b23-9+
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n/an/a 830n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137227
PNG
(5-Chloro-2-{[2-(3-fluoro-4-trifluoromethyl-phenyl)...)
Show SMILES OC(=O)c1cc(Cl)ccc1\N=C\c1nc(oc1O)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H9ClF4N2O4/c19-9-2-4-13(10(6-9)16(26)27)24-7-14-17(28)29-15(25-14)8-1-3-11(12(20)5-8)18(21,22)23/h1-7,28H,(H,26,27)/b24-7+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137229
PNG
(2-{[2-(4-Chloro-phenyl)-5-oxo-oxazol-(4E)-ylidenem...)
Show SMILES OC(=O)c1cc(I)ccc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H10ClIN2O4/c18-10-3-1-9(2-4-10)15-21-14(17(24)25-15)8-20-13-6-5-11(19)7-12(13)16(22)23/h1-8,24H,(H,22,23)/b20-8+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137234
PNG
(5-Bromo-2-{[2-(3-fluoro-4-trifluoromethyl-phenyl)-...)
Show SMILES OC(=O)c1cc(Br)ccc1\N=C\c1nc(oc1O)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H9BrF4N2O4/c19-9-2-4-13(10(6-9)16(26)27)24-7-14-17(28)29-15(25-14)8-1-3-11(12(20)5-8)18(21,22)23/h1-7,28H,(H,26,27)/b24-7+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137233
PNG
(5-Fluoro-2-{[5-oxo-2-(4-trifluoromethyl-phenyl)-ox...)
Show SMILES OC(=O)c1cc(F)ccc1\N=C\c1nc(oc1O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H10F4N2O4/c19-11-5-6-13(12(7-11)16(25)26)23-8-14-17(27)28-15(24-14)9-1-3-10(4-2-9)18(20,21)22/h1-8,27H,(H,25,26)/b23-8+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137235
PNG
(5-Bromo-4-chloro-2-{[5-oxo-2-(4-trifluoromethyl-ph...)
Show SMILES OC(=O)c1cc(Br)c(Cl)cc1\N=C\c1nc(oc1O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H9BrClF3N2O4/c19-11-5-10(16(26)27)13(6-12(11)20)24-7-14-17(28)29-15(25-14)8-1-3-9(4-2-8)18(21,22)23/h1-7,28H,(H,26,27)/b24-7+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137239
PNG
(2-{[2-(4-Chloro-phenyl)-5-oxo-oxazol-(4E)-ylidenem...)
Show SMILES OC(=O)c1cc(F)ccc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H10ClFN2O4/c18-10-3-1-9(2-4-10)15-21-14(17(24)25-15)8-20-13-6-5-11(19)7-12(13)16(22)23/h1-8,24H,(H,22,23)/b20-8+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137230
PNG
(5-Bromo-2-{[2-(4-chloro-phenyl)-5-oxo-oxazol-(4E)-...)
Show SMILES OC(=O)c1cc(Br)ccc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H10BrClN2O4/c18-10-3-6-13(12(7-10)16(22)23)20-8-14-17(24)25-15(21-14)9-1-4-11(19)5-2-9/h1-8,24H,(H,22,23)/b20-8+
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n/an/a 3.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137231
PNG
(5-Methyl-2-{[5-oxo-2-(3-trifluoromethoxy-phenyl)-o...)
Show SMILES Cc1ccc(\N=C\c2nc(oc2O)-c2cccc(OC(F)(F)F)c2)c(c1)C(O)=O
Show InChI InChI=1S/C19H13F3N2O5/c1-10-5-6-14(13(7-10)17(25)26)23-9-15-18(27)28-16(24-15)11-3-2-4-12(8-11)29-19(20,21)22/h2-9,27H,1H3,(H,25,26)/b23-9+
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n/an/a 4.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl carrier protein synthase (AcpS) in Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137237
PNG
(5-Bromo-2-{[5-oxo-2-(3-trifluoromethoxy-phenyl)-ox...)
Show SMILES OC(=O)c1cc(Br)ccc1\N=C\c1nc(oc1O)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C18H10BrF3N2O5/c19-10-4-5-13(12(7-10)16(25)26)23-8-14-17(27)28-15(24-14)9-2-1-3-11(6-9)29-18(20,21)22/h1-8,27H,(H,25,26)/b23-8+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137240
PNG
(2-{[2-(4-Chloro-phenyl)-5-oxo-oxazol-(4E)-ylidenem...)
Show SMILES OC(=O)c1ccccc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN2O4/c18-11-7-5-10(6-8-11)15-20-14(17(23)24-15)9-19-13-4-2-1-3-12(13)16(21)22/h1-9,23H,(H,21,22)/b19-9+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137241
PNG
(5-Bromo-4-chloro-2-{[2-(4-chloro-phenyl)-5-oxo-oxa...)
Show SMILES OC(=O)c1cc(Br)c(Cl)cc1\N=C\c1nc(oc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H9BrCl2N2O4/c18-11-5-10(16(23)24)13(6-12(11)20)21-7-14-17(25)26-15(22-14)8-1-3-9(19)4-2-8/h1-7,25H,(H,23,24)/b21-7+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137243
PNG
(2-{[5-Oxo-2-phenyl-oxazol-(4E)-ylidenemethyl]-amin...)
Show SMILES OC(=O)c1ccccc1\N=C\c1nc(oc1O)-c1ccccc1
Show InChI InChI=1S/C17H12N2O4/c20-16(21)12-8-4-5-9-13(12)18-10-14-17(22)23-15(19-14)11-6-2-1-3-7-11/h1-10,22H,(H,20,21)/b18-10+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137232
PNG
(5-Chloro-2-{[5-oxo-2-(3-trifluoromethoxy-phenyl)-o...)
Show SMILES OC(=O)c1cc(Cl)ccc1\N=C\c1nc(oc1O)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C18H10ClF3N2O5/c19-10-4-5-13(12(7-10)16(25)26)23-8-14-17(27)28-15(24-14)9-2-1-3-11(6-9)29-18(20,21)22/h1-8,27H,(H,25,26)/b23-8+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
Holo-[acyl-carrier-protein] synthase


(Bacillus subtilis)		BDBM50137228
PNG
(5-Fluoro-2-{[2-(4-methoxy-phenyl)-5-oxo-oxazol-(4E...)
Show SMILES COc1ccc(cc1)-c1nc(\C=N\c2ccc(F)cc2C(O)=O)c(O)o1
Show InChI InChI=1S/C18H13FN2O5/c1-25-12-5-2-10(3-6-12)16-21-15(18(24)26-16)9-20-14-7-4-11(19)8-13(14)17(22)23/h2-9,24H,1H3,(H,22,23)/b20-9+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay

Bioorg Med Chem Lett 14: 37-41 (2003)


BindingDB Entry DOI: 10.7270/Q2B27TPZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%