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Compile Data Set for Download or QSAR

Found 356 hits Enz. Inhib. hit(s) with Target = 'Enoyl-ACP Reductase (FabI)'   
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
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8770
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 14 | 4-({9-[...)
Show SMILES CS(=O)(=O)c1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H24N2O4S/c1-33(31,32)21-12-6-18(7-13-21)16-28-24-5-3-2-4-22(24)23-14-15-27(17-25(23)28)26(30)19-8-10-20(29)11-9-19/h2-13,29H,14-17H2,1H3
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PubMed
n/an/a 330n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2241-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00405-x
BindingDB Entry DOI: 10.7270/Q24X5610
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8771
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 15 | 4-({2-[...)
Show SMILES OC(=O)c1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H22N2O4/c29-20-11-9-18(10-12-20)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-7-19(8-6-17)26(31)32/h1-12,29H,13-16H2,(H,31,32)
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n/an/a 8.70E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2241-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00405-x
BindingDB Entry DOI: 10.7270/Q24X5610
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8772
PNG
(1,2,3,4-Tetrahydro pyrido[4,3-b]indol 16 | 4-({2-[...)
Show SMILES Oc1ccc(Cn2c3CCN(Cc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H22N2O3/c28-19-9-5-17(6-10-19)15-27-23-4-2-1-3-21(23)22-16-26(14-13-24(22)27)25(30)18-7-11-20(29)12-8-18/h1-12,28-29H,13-16H2
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n/an/a 3.24E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2241-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00405-x
BindingDB Entry DOI: 10.7270/Q24X5610
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8773
PNG
(2,3,4,9-Tetrahydro beta-carboline 17 | 4-{2-[(4-hy...)
Show SMILES Oc1ccc(cc1)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C24H20N2O3/c27-17-9-5-15(6-10-17)23-22-20(19-3-1-2-4-21(19)25-22)13-14-26(23)24(29)16-7-11-18(28)12-8-16/h1-12,23,25,27-28H,13-14H2
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n/an/a 2.81E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2241-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00405-x
BindingDB Entry DOI: 10.7270/Q24X5610
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8774
PNG
(4-hydroxy-N-({1-[(4-hydroxyphenyl)methyl]-1H-indol...)
Show SMILES CN(Cc1cc2ccccc2n1Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C24H22N2O3/c1-25(24(29)18-8-12-22(28)13-9-18)16-20-14-19-4-2-3-5-23(19)26(20)15-17-6-10-21(27)11-7-17/h2-14,27-28H,15-16H2,1H3
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n/an/a 1.00E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2241-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00405-x
BindingDB Entry DOI: 10.7270/Q24X5610
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8712
PNG
(1,4-Benzodiazepine deriv. 1 | methyl 2-(4-methyl-7...)
Show SMILES COC(=O)CC1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C25H28N4O4/c1-27-14-18-11-17(9-10-20(18)26-21(25(27)32)13-23(30)33-4)24(31)28(2)15-19-12-16-7-5-6-8-22(16)29(19)3/h5-12,21,26H,13-15H2,1-4H3
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n/an/a 1.65E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8713
PNG
((2R)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...)
Show SMILES COC(=O)C[C@H]1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C25H28N4O4/c1-27-14-18-11-17(9-10-20(18)26-21(25(27)32)13-23(30)33-4)24(31)28(2)15-19-12-16-7-5-6-8-22(16)29(19)3/h5-12,21,26H,13-15H2,1-4H3/t21-/m1/s1
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n/an/a 9.90E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8714
PNG
((2S)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...)
Show SMILES COC(=O)C[C@@H]1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C25H28N4O4/c1-27-14-18-11-17(9-10-20(18)26-21(25(27)32)13-23(30)33-4)24(31)28(2)15-19-12-16-7-5-6-8-22(16)29(19)3/h5-12,21,26H,13-15H2,1-4H3/t21-/m0/s1
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n/an/a 6.76E+5n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8715
PNG
(1,4-Benzodiazepine deriv. 4 | N,4-Dimethyl-N-(1-me...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc2NCC(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H24N4O2/c1-24-13-17-10-16(8-9-19(17)23-12-21(24)27)22(28)25(2)14-18-11-15-6-4-5-7-20(15)26(18)3/h4-11,23H,12-14H2,1-3H3
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n/an/a 2.12E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8716
PNG
(3-[(N-Acetyl-N-methylamino)methyl]-4-amino-N-methy...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)c(CN(C)C(C)=O)c1
Show InChI InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3
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n/an/a 6.70E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8717
PNG
(3-[(N-Acetyl-N-methylamino)methyl]-N-methyl-N-(1-m...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1cccc(CN(C)C(C)=O)c1
Show InChI InChI=1S/C22H25N3O2/c1-16(26)23(2)14-17-8-7-10-19(12-17)22(27)24(3)15-20-13-18-9-5-6-11-21(18)25(20)4/h5-13H,14-15H2,1-4H3
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n/an/a 1.07E+5n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8718
PNG
(4-Amino-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)cc1
Show InChI InChI=1S/C18H19N3O/c1-20(18(22)13-7-9-15(19)10-8-13)12-16-11-14-5-3-4-6-17(14)21(16)2/h3-11H,12,19H2,1-2H3
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n/an/a 1.63E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8719
PNG
(N-Methyl-N-(1-methyl-1H-indol-2-ylmethyl)benzamide...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccccc1
Show InChI InChI=1S/C18H18N2O/c1-19(18(21)14-8-4-3-5-9-14)13-16-12-15-10-6-7-11-17(15)20(16)2/h3-12H,13H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8720
PNG
((2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)nc1
Show InChI InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+
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n/an/a 2.40E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8721
PNG
((2E)-3-(2-aminopyrimidin-5-yl)-N-methyl-N-[(1-meth...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(N)nc1
Show InChI InChI=1S/C18H19N5O/c1-22(17(24)8-7-13-10-20-18(19)21-11-13)12-15-9-14-5-3-4-6-16(14)23(15)2/h3-11H,12H2,1-2H3,(H2,19,20,21)/b8-7+
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n/an/a 2.20E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8722
PNG
(3-(6-Aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-i...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)CCc1ccc(N)nc1
Show InChI InChI=1S/C19H22N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H2,20,21)
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n/an/a 9.37E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8723
PNG
(6-Amino-N-methyl-N-(1-methyl-1H-indol-2-yl)nicotin...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)nc1
Show InChI InChI=1S/C17H18N4O/c1-20(17(22)13-7-8-16(18)19-10-13)11-14-9-12-5-3-4-6-15(12)21(14)2/h3-10H,11H2,1-2H3,(H2,18,19)
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n/an/a>1.00E+5n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8724
PNG
((2E)-3-(4-aminophenyl)-N-methyl-N-[(1-methyl-1H-in...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)cc1
Show InChI InChI=1S/C20H21N3O/c1-22(20(24)12-9-15-7-10-17(21)11-8-15)14-18-13-16-5-3-4-6-19(16)23(18)2/h3-13H,14,21H2,1-2H3/b12-9+
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n/an/a 1.12E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8725
PNG
((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H19N3O/c1-21(19(23)10-9-15-6-5-11-20-13-15)14-17-12-16-7-3-4-8-18(16)22(17)2/h3-13H,14H2,1-2H3/b10-9+
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n/an/a 1.42E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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n/an/a 70n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8720
PNG
((2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)nc1
Show InChI InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+
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n/an/a 2.40E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8728
PNG
((2E)-3-(6-amino-5-methylpyridin-3-yl)-N-methyl-N-[...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(N)c(C)c1
Show InChI InChI=1S/C20H22N4O/c1-14-10-15(12-22-20(14)21)8-9-19(25)23(2)13-17-11-16-6-4-5-7-18(16)24(17)3/h4-12H,13H2,1-3H3,(H2,21,22)/b9-8+
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n/an/a 910n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8729
PNG
((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NCCCc2c1
Show InChI InChI=1S/C22H24N4O/c1-25(15-19-13-17-6-3-4-8-20(17)26(19)2)21(27)10-9-16-12-18-7-5-11-23-22(18)24-14-16/h3-4,6,8-10,12-14H,5,7,11,15H2,1-2H3,(H,23,24)/b10-9+
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n/an/a 2.30E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8730
PNG
((2E)-3-(6-acetamidopyridin-3-yl)-N-methyl-N-[(1-me...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(NC(C)=O)nc1
Show InChI InChI=1S/C21H22N4O2/c1-15(26)23-20-10-8-16(13-22-20)9-11-21(27)24(2)14-18-12-17-6-4-5-7-19(17)25(18)3/h4-13H,14H2,1-3H3,(H,22,23,26)/b11-9+
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n/an/a 300n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8731
PNG
((2E)-3-(6-acetamido-5-methylpyridin-3-yl)-N-methyl...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(NC(C)=O)c(C)c1
Show InChI InChI=1S/C22H24N4O2/c1-15-11-17(13-23-22(15)24-16(2)27)9-10-21(28)25(3)14-19-12-18-7-5-6-8-20(18)26(19)4/h5-13H,14H2,1-4H3,(H,23,24,27)/b10-9+
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n/an/a 940n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8732
PNG
((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+
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n/an/a 50n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8733
PNG
((2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3...)
Show SMILES CN(Cc1cn(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+
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n/an/a 130n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8734
PNG
((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...)
Show SMILES CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-14-18(17-5-3-4-6-19(17)24-14)13-26(2)21(28)10-7-15-11-16-8-9-20(27)25-22(16)23-12-15/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,23,25,27)/b10-7+
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n/an/a 50n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8735
PNG
((2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-meth...)
Show SMILES CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+
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n/an/a 60n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8736
PNG
((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...)
Show SMILES CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+
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n/an/a 20n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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n/an/a 70n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Escherichia coli)
BDBM8733
PNG
((2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3...)
Show SMILES CN(Cc1cn(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+
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n/an/a 70n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Escherichia coli)
BDBM8734
PNG
((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...)
Show SMILES CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-14-18(17-5-3-4-6-19(17)24-14)13-26(2)21(28)10-7-15-11-16-8-9-20(27)25-22(16)23-12-15/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,23,25,27)/b10-7+
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n/an/a<60n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Escherichia coli)
BDBM8735
PNG
((2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-meth...)
Show SMILES CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+
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n/an/a 30n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Escherichia coli)
BDBM8736
PNG
((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...)
Show SMILES CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+
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n/an/a<70n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Escherichia coli)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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n/an/a 430n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8738
PNG
(1-[(4-methylphenyl)methyl]-4-(thiophen-2-yl)-1H-im...)
Show SMILES Cc1ccc(Cn2cnc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C15H14N2S/c1-12-4-6-13(7-5-12)9-17-10-14(16-11-17)15-3-2-8-18-15/h2-8,10-11H,9H2,1H3
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n/an/a 1.24E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8739
PNG
(4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-...)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(C)cc2)cn1
Show InChI InChI=1S/C18H18N2O/c1-14-3-5-15(6-4-14)11-20-12-18(19-13-20)16-7-9-17(21-2)10-8-16/h3-10,12-13H,11H2,1-2H3
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n/an/a 360n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8740
PNG
(1-[(3-nitrophenyl)methyl]-4-(thiophen-3-yl)-1H-imi...)
Show SMILES O=N(=O)c1cccc(Cn2cnc(c2)-c2ccsc2)c1
Show InChI InChI=1S/C14H11N3O2S/c18-17(19)13-3-1-2-11(6-13)7-16-8-14(15-10-16)12-4-5-20-9-12/h1-6,8-10H,7H2
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PubMed
n/an/a 1.47E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8741
PNG
(4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}anil...)
Show SMILES Nc1ccc(Cn2cnc(c2)-c2ccsc2)cc1
Show InChI InChI=1S/C14H13N3S/c15-13-3-1-11(2-4-13)7-17-8-14(16-10-17)12-5-6-18-9-12/h1-6,8-10H,7,15H2
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PubMed
n/an/a 2.03E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8742
PNG
(1-[(4-methoxyphenyl)methyl]-4-(thiophen-3-yl)-1H-i...)
Show SMILES COc1ccc(Cn2cnc(c2)-c2ccsc2)cc1
Show InChI InChI=1S/C15H14N2OS/c1-18-14-4-2-12(3-5-14)8-17-9-15(16-11-17)13-6-7-19-10-13/h2-7,9-11H,8H2,1H3
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n/an/a 1.90E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8743
PNG
(3-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}benz...)
Show SMILES OC(=O)c1cccc(Cn2cnc(c2)-c2ccsc2)c1
Show InChI InChI=1S/C15H12N2O2S/c18-15(19)12-3-1-2-11(6-12)7-17-8-14(16-10-17)13-4-5-20-9-13/h1-6,8-10H,7H2,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8744
PNG
(1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-im...)
Show SMILES Cc1ccc(Cn2cnc(c2)-c2ccsc2)cc1
Show InChI InChI=1S/C15H14N2S/c1-12-2-4-13(5-3-12)8-17-9-15(16-11-17)14-6-7-18-10-14/h2-7,9-11H,8H2,1H3
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n/an/a 250n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8745
PNG
(1-methyl-4-(thiophen-3-yl)-1H-imidazole | Disubsti...)
Show SMILES Cn1cnc(c1)-c1ccsc1
Show InChI InChI=1S/C8H8N2S/c1-10-4-8(9-6-10)7-2-3-11-5-7/h2-6H,1H3
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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8746
PNG
(1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-im...)
Show SMILES Cc1cccc(Cn2cnc(c2)-c2ccsc2)c1
Show InChI InChI=1S/C15H14N2S/c1-12-3-2-4-13(7-12)8-17-9-15(16-11-17)14-5-6-18-10-14/h2-7,9-11H,8H2,1H3
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n/an/a 4.24E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8747
PNG
(1-[(2-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-im...)
Show SMILES Cc1ccccc1Cn1cnc(c1)-c1ccsc1
Show InChI InChI=1S/C15H14N2S/c1-12-4-2-3-5-13(12)8-17-9-15(16-11-17)14-6-7-18-10-14/h2-7,9-11H,8H2,1H3
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PubMed
n/an/a 3.65E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8748
PNG
(1-[(4-phenylphenyl)methyl]-4-(thiophen-3-yl)-1H-im...)
Show SMILES C(c1ccc(cc1)-c1ccccc1)n1cnc(c1)-c1ccsc1
Show InChI InChI=1S/C20H16N2S/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)12-22-13-20(21-15-22)19-10-11-23-14-19/h1-11,13-15H,12H2
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PubMed
n/an/a 7.66E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8749
PNG
(1-benzyl-4-(4-methoxyphenyl)-1H-imidazole | Disubs...)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccccc2)cn1
Show InChI InChI=1S/C17H16N2O/c1-20-16-9-7-15(8-10-16)17-12-19(13-18-17)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
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n/an/a 1.13E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8750
PNG
(4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]...)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(cc2)C(F)(F)F)cn1
Show InChI InChI=1S/C18H15F3N2O/c1-24-16-8-4-14(5-9-16)17-11-23(12-22-17)10-13-2-6-15(7-3-13)18(19,20)21/h2-9,11-12H,10H2,1H3
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PubMed
n/an/a 4.07E+3n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8751
PNG
(1-benzyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cn(Cc2ccccc2)cn1
Show InChI InChI=1S/C17H13F3N2/c18-17(19,20)15-8-6-14(7-9-15)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
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PubMed
n/an/a>1.00E+5n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


Bioorg Med Chem Lett 11: 2061-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00404-8
BindingDB Entry DOI: 10.7270/Q28P5XQG
More data for this
Ligand-Target Pair
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