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PubMed code 11527706

Compile data set for download or QSAR
Found 65 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
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8767
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 3 | 4-({9-[(...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)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)22-13-14-26(16-24(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 110n/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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8786
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 30 | 2-({9-...)
Show SMILES Cc1ccc(C(=O)N2CCc3c(C2)n(Cc2ccc(O)cc2)c2ccccc32)c(O)c1
Show InChI InChI=1S/C26H24N2O3/c1-17-6-11-22(25(30)14-17)26(31)27-13-12-21-20-4-2-3-5-23(20)28(24(21)16-27)15-18-7-9-19(29)10-8-18/h2-11,14,29-30H,12-13,15-16H2,1H3
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n/an/a 120n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8789
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 33 | 2-chlo...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)c(Cl)c2)cc1
Show InChI InChI=1S/C25H21ClN2O3/c26-21-13-17(7-10-24(21)30)25(31)27-12-11-20-19-3-1-2-4-22(19)28(23(20)15-27)14-16-5-8-18(29)9-6-16/h1-10,13,29-30H,11-12,14-15H2
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n/an/a 160n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8787
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 31 | 5-chlo...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2O)cc1
Show InChI InChI=1S/C25H21ClN2O3/c26-17-7-10-21(24(30)13-17)25(31)27-12-11-20-19-3-1-2-4-22(19)28(23(20)15-27)14-16-5-8-18(29)9-6-16/h1-10,13,29-30H,11-12,14-15H2
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n/an/a 160n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8788
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 32 | 4-({9-...)
Show SMILES Cc1cc(ccc1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C26H24N2O3/c1-17-14-19(8-11-25(17)30)26(31)27-13-12-22-21-4-2-3-5-23(21)28(24(22)16-27)15-18-6-9-20(29)10-7-18/h2-11,14,29-30H,12-13,15-16H2,1H3
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n/an/a 180n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8778
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 22 | 4-({2-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H21ClN2O2/c26-19-9-7-18(8-10-19)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-11-20(29)12-6-17/h1-12,29H,13-16H2
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n/an/a 180n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8776
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 20 | 4-({2-...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C26H24N2O2/c1-18-6-10-20(11-7-18)26(30)27-15-14-23-22-4-2-3-5-24(22)28(25(23)17-27)16-19-8-12-21(29)13-9-19/h2-13,29H,14-17H2,1H3
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n/an/a 240n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8769
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 13 | 4-({9-[...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(F)cc1)c1ccccc21
Show InChI InChI=1S/C25H21FN2O2/c26-19-9-5-17(6-10-19)15-28-23-4-2-1-3-21(23)22-13-14-27(16-24(22)28)25(30)18-7-11-20(29)12-8-18/h1-12,29H,13-16H2
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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: 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-[acyl-carrier-protein] reductase [NADPH] 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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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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8785
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 29 | 4-({2-...)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C26H24N2O3/c1-31-21-12-8-19(9-13-21)26(30)27-15-14-23-22-4-2-3-5-24(22)28(25(23)17-27)16-18-6-10-20(29)11-7-18/h2-13,29H,14-17H2,1H3
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n/an/a 370n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8766
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 11 | 4-({9-[...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1cccc(O)c1)c1ccccc21
Show InChI InChI=1S/C25H22N2O3/c28-19-10-8-18(9-11-19)25(30)26-13-12-22-21-6-1-2-7-23(21)27(24(22)16-26)15-17-4-3-5-20(29)14-17/h1-11,14,28-29H,12-13,15-16H2
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n/an/a 420n/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-[acyl-carrier-protein] reductase [NADH] 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/an/a30



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		3D
3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8775
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 19 | 4-({2-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H22N2O2/c28-20-12-10-18(11-13-20)16-27-23-9-5-4-8-21(23)22-14-15-26(17-24(22)27)25(29)19-6-2-1-3-7-19/h1-13,28H,14-17H2
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n/an/a 490n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8777
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 21 | 4-({2-...)
Show SMILES CCCCc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C29H30N2O2/c1-2-3-6-21-9-13-23(14-10-21)29(33)30-18-17-26-25-7-4-5-8-27(25)31(28(26)20-30)19-22-11-15-24(32)16-12-22/h4-5,7-16,32H,2-3,6,17-20H2,1H3
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n/an/a 510n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8768
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 12 | 4-({9-[...)
Show SMILES Nc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H23N3O2/c26-19-9-5-17(6-10-19)15-28-23-4-2-1-3-21(23)22-13-14-27(16-24(22)28)25(30)18-7-11-20(29)12-8-18/h1-12,29H,13-16,26H2
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n/an/a 670n/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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8783
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 27 | 2-({9-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2O)cc1
Show InChI InChI=1S/C25H22N2O3/c28-18-11-9-17(10-12-18)15-27-22-7-3-1-5-19(22)20-13-14-26(16-23(20)27)25(30)21-6-2-4-8-24(21)29/h1-12,28-29H,13-16H2
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n/an/a 720n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8781
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 25 | 4-({2-...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C25H23N3O2/c26-19-9-7-18(8-10-19)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-11-20(29)12-6-17/h1-12,29H,13-16,26H2
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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-[acyl-carrier-protein] reductase [NADPH] 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-[acyl-carrier-protein] reductase [NADPH] 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 1.10E+3n/an/an/an/an/a30



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		3D
3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8765
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 10 | 4-({9-b...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C25H22N2O2/c28-20-12-10-19(11-13-20)25(29)26-15-14-22-21-8-4-5-9-23(21)27(24(22)17-26)16-18-6-2-1-3-7-18/h1-13,28H,14-17H2
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n/an/a 1.30E+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...

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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8761
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 6 | 4-{1H,2H...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C18H16N2O2/c21-13-7-5-12(6-8-13)18(22)20-10-9-15-14-3-1-2-4-16(14)19-17(15)11-20/h1-8,19,21H,9-11H2
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n/an/a 1.40E+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...

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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8762
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 7 | 4-({9-me...)
Show SMILES Cn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O2/c1-20-17-5-3-2-4-15(17)16-10-11-21(12-18(16)20)19(23)13-6-8-14(22)9-7-13/h2-9,22H,10-12H2,1H3
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n/an/a 1.40E+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...

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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8779
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 23 | 4-({2-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H20Cl2N2O2/c26-17-7-10-21(22(27)13-17)25(31)28-12-11-20-19-3-1-2-4-23(19)29(24(20)15-28)14-16-5-8-18(30)9-6-16/h1-10,13,30H,11-12,14-15H2
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n/an/a 1.80E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8790
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 34 | 2,4-di...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C25H20Cl2N2O3/c26-16-11-20(24(31)21(27)12-16)25(32)28-10-9-19-18-3-1-2-4-22(18)29(23(19)14-28)13-15-5-7-17(30)8-6-15/h1-8,11-12,30-31H,9-10,13-14H2
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n/an/a 1.80E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8780
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 24 | methyl...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C27H24N2O4/c1-33-27(32)20-10-8-19(9-11-20)26(31)28-15-14-23-22-4-2-3-5-24(22)29(25(23)17-28)16-18-6-12-21(30)13-7-18/h2-13,30H,14-17H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8782
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 26 | 4-[(2-...)
Show SMILES CNc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C26H25N3O2/c1-27-20-10-8-19(9-11-20)26(31)28-15-14-23-22-4-2-3-5-24(22)29(25(23)17-28)16-18-6-12-21(30)13-7-18/h2-13,27,30H,14-17H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8775
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 19 | 4-({2-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H22N2O2/c28-20-12-10-18(11-13-20)16-27-23-9-5-4-8-21(23)22-14-15-26(17-24(22)27)25(29)19-6-2-1-3-7-19/h1-13,28H,14-17H2
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n/an/a 2.70E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8760
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 5 | 2-benzoy...)
Show SMILES O=C(N1CCc2c(C1)[nH]c1ccccc21)c1ccccc1
Show InChI InChI=1S/C18H16N2O/c21-18(13-6-2-1-3-7-13)20-11-10-15-14-8-4-5-9-16(14)19-17(15)12-20/h1-9,19H,10-12H2
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n/an/a 2.70E+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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8791
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 35 | 4-({9-...)
Show SMILES Cc1cc(cc(C)c1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C27H26N2O3/c1-17-13-20(14-18(2)26(17)31)27(32)28-12-11-23-22-5-3-4-6-24(22)29(25(23)16-28)15-19-7-9-21(30)10-8-19/h3-10,13-14,30-31H,11-12,15-16H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8784
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 28 | 3-({9-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2cccc(O)c2)cc1
Show InChI InChI=1S/C25H22N2O3/c28-19-10-8-17(9-11-19)15-27-23-7-2-1-6-21(23)22-12-13-26(16-24(22)27)25(30)18-4-3-5-20(29)14-18/h1-11,14,28-29H,12-13,15-16H2
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n/an/a 3.40E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8789
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 33 | 2-chlo...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)c(Cl)c2)cc1
Show InChI InChI=1S/C25H21ClN2O3/c26-21-13-17(7-10-24(21)30)25(31)27-12-11-20-19-3-1-2-4-22(19)28(23(20)15-27)14-16-5-8-18(29)9-6-16/h1-10,13,29-30H,11-12,14-15H2
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n/an/a 3.40E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8781
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 25 | 4-({2-...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C25H23N3O2/c26-19-9-7-18(8-10-19)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-11-20(29)12-6-17/h1-12,29H,13-16,26H2
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n/an/a 4.00E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8767
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 3 | 4-({9-[(...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)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)22-13-14-26(16-24(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 4.20E+3n/an/an/an/an/a30



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		3D
3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8769
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 13 | 4-({9-[...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(F)cc1)c1ccccc21
Show InChI InChI=1S/C25H21FN2O2/c26-19-9-5-17(6-10-19)15-28-23-4-2-1-3-21(23)22-13-14-27(16-24(22)28)25(30)18-7-11-20(29)12-8-18/h1-12,29H,13-16H2
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n/an/a 4.20E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8783
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 27 | 2-({9-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2O)cc1
Show InChI InChI=1S/C25H22N2O3/c28-18-11-9-17(10-12-18)15-27-22-7-3-1-5-19(22)20-13-14-26(16-23(20)27)25(30)21-6-2-4-8-24(21)29/h1-12,28-29H,13-16H2
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n/an/a 4.30E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8788
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 32 | 4-({9-...)
Show SMILES Cc1cc(ccc1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C26H24N2O3/c1-17-14-19(8-11-25(17)30)26(31)27-13-12-22-21-4-2-3-5-23(21)28(24(22)16-27)15-18-6-9-20(29)10-7-18/h2-11,14,29-30H,12-13,15-16H2,1H3
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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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		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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n/an/a 4.50E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8764
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 9 | methyl 5...)
Show SMILES COC(=O)CCCCn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O4/c1-30-23(28)8-4-5-14-26-21-7-3-2-6-19(21)20-13-15-25(16-22(20)26)24(29)17-9-11-18(27)12-10-17/h2-3,6-7,9-12,27H,4-5,8,13-16H2,1H3
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n/an/a 4.60E+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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8776
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 20 | 4-({2-...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C26H24N2O2/c1-18-6-10-20(11-7-18)26(30)27-15-14-23-22-4-2-3-5-24(22)28(25(23)17-27)16-19-8-12-21(29)13-9-19/h2-13,29H,14-17H2,1H3
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n/an/a 5.20E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8787
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 31 | 5-chlo...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2O)cc1
Show InChI InChI=1S/C25H21ClN2O3/c26-17-7-10-21(24(30)13-17)25(31)27-12-11-20-19-3-1-2-4-22(19)28(23(20)15-27)14-16-5-8-18(29)9-6-16/h1-10,13,29-30H,11-12,14-15H2
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n/an/a 6.10E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8759
PNG
(2-(4-methyl-3-oxo-7-{1H,2H,3H,4H,9H-pyrido[3,4-b]i...)
Show SMILES CN1Cc2cc(ccc2NC(CC(O)=O)C1=O)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H24N4O4/c1-27-12-15-10-14(6-7-18(15)25-20(24(27)32)11-22(29)30)23(31)28-9-8-17-16-4-2-3-5-19(16)26-21(17)13-28/h2-7,10,20,25-26H,8-9,11-13H2,1H3,(H,29,30)
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n/an/a 7.80E+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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8786
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 30 | 2-({9-...)
Show SMILES Cc1ccc(C(=O)N2CCc3c(C2)n(Cc2ccc(O)cc2)c2ccccc32)c(O)c1
Show InChI InChI=1S/C26H24N2O3/c1-17-6-11-22(25(30)14-17)26(31)27-13-12-21-20-4-2-3-5-23(20)28(24(21)16-27)15-18-7-9-19(29)10-8-18/h2-11,14,29-30H,12-13,15-16H2,1H3
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n/an/a 8.20E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] 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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8766
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 11 | 4-({9-[...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1cccc(O)c1)c1ccccc21
Show InChI InChI=1S/C25H22N2O3/c28-19-10-8-18(9-11-19)25(30)26-13-12-22-21-6-1-2-7-23(21)27(24(22)16-26)15-17-4-3-5-20(29)14-17/h1-11,14,28-29H,12-13,15-16H2
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n/an/a 8.80E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8763
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 8 | methyl 2...)
Show SMILES COC(=O)Cn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C21H20N2O4/c1-27-20(25)13-23-18-5-3-2-4-16(18)17-10-11-22(12-19(17)23)21(26)14-6-8-15(24)9-7-14/h2-9,24H,10-13H2,1H3
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n/an/a 9.80E+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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8790
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 34 | 2,4-di...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C25H20Cl2N2O3/c26-16-11-20(24(31)21(27)12-16)25(32)28-10-9-19-18-3-1-2-4-22(18)29(23(19)14-28)13-15-5-7-17(30)8-6-15/h1-8,11-12,30-31H,9-10,13-14H2
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n/an/a 9.90E+3n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8762
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 7 | 4-({9-me...)
Show SMILES Cn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O2/c1-20-17-5-3-2-4-15(17)16-10-11-21(12-18(16)20)19(23)13-6-8-14(22)9-7-13/h2-9,22H,10-12H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8778
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 22 | 4-({2-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H21ClN2O2/c26-19-9-7-18(8-10-19)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-11-20(29)12-6-17/h1-12,29H,13-16H2
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n/an/a 1.68E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8761
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 6 | 4-{1H,2H...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C18H16N2O2/c21-13-7-5-12(6-8-13)18(22)20-10-9-15-14-3-1-2-4-16(14)19-17(15)11-20/h1-8,19,21H,9-11H2
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n/an/a 1.80E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8768
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 12 | 4-({9-[...)
Show SMILES Nc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H23N3O2/c26-19-9-5-17(6-10-19)15-28-23-4-2-1-3-21(23)22-13-14-27(16-24(22)28)25(30)18-7-11-20(29)12-8-18/h1-12,29H,13-16,26H2
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n/an/a 2.14E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8791
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 35 | 4-({9-...)
Show SMILES Cc1cc(cc(C)c1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C27H26N2O3/c1-17-13-20(14-18(2)26(17)31)27(32)28-12-11-23-22-5-3-4-6-24(22)29(25(23)16-28)15-19-7-9-21(30)10-8-19/h3-10,13-14,30-31H,11-12,15-16H2,1-2H3
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n/an/a 2.30E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8764
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 9 | methyl 5...)
Show SMILES COC(=O)CCCCn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O4/c1-30-23(28)8-4-5-14-26-21-7-3-2-6-19(21)20-13-15-25(16-22(20)26)24(29)17-9-11-18(27)12-10-17/h2-3,6-7,9-12,27H,4-5,8,13-16H2,1H3
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n/an/a 2.68E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8765
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 10 | 4-({9-b...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C25H22N2O2/c28-20-12-10-19(11-13-20)25(29)26-15-14-22-21-8-4-5-9-23(21)27(24(22)17-26)16-18-6-2-1-3-7-18/h1-13,28H,14-17H2
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n/an/a 2.70E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] 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-[acyl-carrier-protein] reductase [NADPH] 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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8763
PNG
(1,2,3,4-Tetrahydropyrido[3,4-b]indole 8 | methyl 2...)
Show SMILES COC(=O)Cn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C21H20N2O4/c1-27-20(25)13-23-18-5-3-2-4-16(18)17-10-11-22(12-19(17)23)21(26)14-6-8-15(24)9-7-14/h2-9,24H,10-13H2,1H3
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n/an/a 3.49E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8785
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 29 | 4-({2-...)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C26H24N2O3/c1-31-21-12-8-19(9-13-21)26(30)27-15-14-23-22-4-2-3-5-24(22)28(25(23)17-27)16-18-6-10-20(29)11-7-18/h2-13,29H,14-17H2,1H3
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n/an/a 3.55E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8779
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 23 | 4-({2-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H20Cl2N2O2/c26-17-7-10-21(22(27)13-17)25(31)28-12-11-20-19-3-1-2-4-23(19)29(24(20)15-28)14-16-5-8-18(30)9-6-16/h1-10,13,30H,11-12,14-15H2
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n/an/a 3.58E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8782
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 26 | 4-[(2-...)
Show SMILES CNc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C26H25N3O2/c1-27-20-10-8-19(9-11-20)26(31)28-15-14-23-22-4-2-3-5-24(22)29(25(23)17-28)16-18-6-12-21(30)13-7-18/h2-13,27,30H,14-17H2,1H3
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n/an/a 3.86E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8792
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 36 | 4-({9-...)
Show SMILES Cc1cc(O)c(C)c(O)c1C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C27H26N2O4/c1-16-13-24(31)17(2)26(32)25(16)27(33)28-12-11-21-20-5-3-4-6-22(20)29(23(21)15-28)14-18-7-9-19(30)10-8-18/h3-10,13,30-32H,11-12,14-15H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8780
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 24 | methyl...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C27H24N2O4/c1-33-27(32)20-10-8-19(9-11-20)26(31)28-15-14-23-22-4-2-3-5-24(22)29(25(23)17-28)16-18-6-12-21(30)13-7-18/h2-13,30H,14-17H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		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>5.00E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM8792
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 36 | 4-({9-...)
Show SMILES Cc1cc(O)c(C)c(O)c1C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C27H26N2O4/c1-16-13-24(31)17(2)26(32)25(16)27(33)28-12-11-21-20-5-3-4-6-22(20)29(23(21)15-28)14-18-7-9-19(30)10-8-18/h3-10,13,30-32H,11-12,14-15H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8777
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 21 | 4-({2-...)
Show SMILES CCCCc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
Show InChI InChI=1S/C29H30N2O2/c1-2-3-6-21-9-13-23(14-10-21)29(33)30-18-17-26-25-7-4-5-8-27(25)31(28(26)20-30)19-22-11-15-24(32)16-12-22/h4-5,7-16,32H,2-3,6,17-20H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/a30



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-[acyl-carrier-protein] reductase [NADH] FabI


(Escherichia coli)		BDBM8784
PNG
(1,2,3,4-tetrahydro pyrido[3,4-b]indole 28 | 3-({9-...)
Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2cccc(O)c2)cc1
Show InChI InChI=1S/C25H22N2O3/c28-19-10-8-17(9-11-19)15-27-23-7-2-1-6-21(23)22-12-13-26(16-24(22)27)25(30)18-4-3-5-20(29)14-18/h1-11,14,28-29H,12-13,15-16H2
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n/an/a>5.00E+4n/an/an/an/an/a30



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
* indicates data uncertainty>20%