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PubMed code 17723305

Compile data set for download or QSAR
Found 34 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 [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25795
PNG
(1-benzoyl-4-(9H-fluoren-9-yl)piperazine | piperazi...)
Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H22N2O/c27-24(18-8-2-1-3-9-18)26-16-14-25(15-17-26)23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23H,14-17H2
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n/an/a 90n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25796
PNG
(5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H...)
Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2
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n/an/a 200n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25794
PNG
(1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]pi...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3
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n/an/a 400n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25778
PNG
(1-(3-chlorophenyl)-4-[(3,4-dimethylphenyl)carbonyl...)
Show SMILES Cc1ccc(cc1C)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H21ClN2O/c1-14-6-7-16(12-15(14)2)19(23)22-10-8-21(9-11-22)18-5-3-4-17(20)13-18/h3-7,12-13H,8-11H2,1-2H3
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n/an/a 990n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25797
PNG
(5-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}ca...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H23F2N3O/c27-22-6-1-18(2-7-22)25(19-3-8-23(28)9-4-19)30-13-15-31(16-14-30)26(32)21-5-10-24-20(17-21)11-12-29-24/h1-12,17,25,29H,13-16H2
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n/an/a 1.04E+3n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25779
PNG
(1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluorome...)
Show SMILES Cc1ccc(cc1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O/c1-14-6-7-16(12-15(14)2)19(26)25-10-8-24(9-11-25)18-5-3-4-17(13-18)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3
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n/an/a 1.85E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25798
PNG
(1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)c...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/c1-18-2-4-21(5-3-18)25(30)29-16-14-28(15-17-29)24(19-6-10-22(26)11-7-19)20-8-12-23(27)13-9-20/h2-13,24H,14-17H2,1H3
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n/an/a 1.89E+3n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25799
PNG
(1-benzoyl-4-[bis(4-fluorophenyl)methyl]piperazine ...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H22F2N2O/c25-21-10-6-18(7-11-21)23(19-8-12-22(26)13-9-19)27-14-16-28(17-15-27)24(29)20-4-2-1-3-5-20/h1-13,23H,14-17H2
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n/an/a 2.04E+3n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25775
PNG
(1-(3-chlorophenyl)-4-[(4-methylphenyl)carbonyl]pip...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H19ClN2O/c1-14-5-7-15(8-6-14)18(22)21-11-9-20(10-12-21)17-4-2-3-16(19)13-17/h2-8,13H,9-12H2,1H3
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n/an/a 3.07E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25792
PNG
(4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine | ...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
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n/an/a 5.16E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25787
PNG
(1-(3-chlorophenyl)-4-[(3,4-dichlorophenyl)carbonyl...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl3N2O/c18-13-2-1-3-14(11-13)21-6-8-22(9-7-21)17(23)12-4-5-15(19)16(20)10-12/h1-5,10-11H,6-9H2
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n/an/a 6.05E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25774
PNG
(1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O/c1-14-5-7-15(8-6-14)18(25)24-11-9-23(10-12-24)17-4-2-3-16(13-17)19(20,21)22/h2-8,13H,9-12H2,1H3
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n/an/a 6.26E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25786
PNG
(1-(3-chlorophenyl)-4-[(3-chlorophenyl)carbonyl]pip...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H16Cl2N2O/c18-14-4-1-3-13(11-14)17(22)21-9-7-20(8-10-21)16-6-2-5-15(19)12-16/h1-6,11-12H,7-10H2
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n/an/a 6.73E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25793
PNG
(4-benzyl-1-[(3-methylphenyl)carbonyl]piperidine | ...)
Show SMILES Cc1cccc(c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23NO/c1-16-6-5-9-19(14-16)20(22)21-12-10-18(11-13-21)15-17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3
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n/an/a 7.39E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25790
PNG
(4-benzyl-1-[(3-chlorophenyl)carbonyl]piperidine | ...)
Show SMILES Clc1cccc(c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20ClNO/c20-18-8-4-7-17(14-18)19(22)21-11-9-16(10-12-21)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2
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n/an/a 7.74E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25776
PNG
(1-(3-chlorophenyl)-4-[(3-methylphenyl)carbonyl]pip...)
Show SMILES Cc1cccc(c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H19ClN2O/c1-14-4-2-5-15(12-14)18(22)21-10-8-20(9-11-21)17-7-3-6-16(19)13-17/h2-7,12-13H,8-11H2,1H3
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n/an/a 9.43E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25785
PNG
(1-(3-chlorophenyl)-4-[(4-fluorophenyl)carbonyl]pip...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClFN2O/c18-14-2-1-3-16(12-14)20-8-10-21(11-9-20)17(22)13-4-6-15(19)7-5-13/h1-7,12H,8-11H2
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Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25784
PNG
(1-(3-chlorophenyl)-4-[(2-fluorophenyl)carbonyl]pip...)
Show SMILES Fc1ccccc1C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClFN2O/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(22)15-6-1-2-7-16(15)19/h1-7,12H,8-11H2
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n/an/a 1.39E+4n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25791
PNG
(4-benzyl-1-[(2-fluorophenyl)carbonyl]piperidine | ...)
Show SMILES Fc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20FNO/c20-18-9-5-4-8-17(18)19(22)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
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n/an/a 1.41E+4n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25777
PNG
(1-[(3-methylphenyl)carbonyl]-4-(4-nitrophenyl)pipe...)
Show SMILES Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H19N3O3/c1-14-3-2-4-15(13-14)18(22)20-11-9-19(10-12-20)16-5-7-17(8-6-16)21(23)24/h2-8,13H,9-12H2,1H3
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n/an/a 1.55E+4n/an/an/an/a6.823



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Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25773
PNG
(1-[(4-methylphenyl)carbonyl]-4-phenylpiperazine | ...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-15-7-9-16(10-8-15)18(21)20-13-11-19(12-14-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
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n/an/a 1.66E+4n/an/an/an/a6.823



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Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25788
PNG
(1-[(3,4-dichlorophenyl)carbonyl]-4-phenylpiperazin...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C17H16Cl2N2O/c18-15-7-6-13(12-16(15)19)17(22)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2
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n/an/a 1.76E+4n/an/an/an/a6.823



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Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25789
PNG
(1-benzoyl-4-benzylpiperazine | piperazine, a18)
Show SMILES O=C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C18H20N2O/c21-18(17-9-5-2-6-10-17)20-13-11-19(12-14-20)15-16-7-3-1-4-8-16/h1-10H,11-15H2
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n/an/a 3.15E+4n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25772
PNG
(1-benzoyl-4-phenylpiperazine | piperazine, a1)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H18N2O/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16/h1-10H,11-14H2
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n/an/a 3.89E+4n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25783
PNG
(1-[(4-tert-butylphenyl)carbonyl]-4-(3-chloro-4-met...)
Show SMILES Cc1ccc(cc1Cl)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27ClN2O/c1-16-5-10-19(15-20(16)23)24-11-13-25(14-12-24)21(26)17-6-8-18(9-7-17)22(2,3)4/h5-10,15H,11-14H2,1-4H3
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Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25782
PNG
(1-[(4-tert-butylphenyl)carbonyl]-4-[3-(trifluorome...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O/c1-21(2,3)17-9-7-16(8-10-17)20(28)27-13-11-26(12-14-27)19-6-4-5-18(15-19)22(23,24)25/h4-10,15H,11-14H2,1-3H3
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Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25781
PNG
(1-[(4-tert-butylphenyl)carbonyl]-4-(3-chlorophenyl...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H25ClN2O/c1-21(2,3)17-9-7-16(8-10-17)20(25)24-13-11-23(12-14-24)19-6-4-5-18(22)15-19/h4-10,15H,11-14H2,1-3H3
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Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25780
PNG
(1-(3-chlorophenyl)-4-{[4-(propan-2-yl)phenyl]carbo...)
Show SMILES CC(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H23ClN2O/c1-15(2)16-6-8-17(9-7-16)20(24)23-12-10-22(11-13-23)19-5-3-4-18(21)14-19/h3-9,14-15H,10-13H2,1-2H3
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Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25801
PNG
(5-({4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C26H24FN3O/c27-23-9-6-20(7-10-23)25(19-4-2-1-3-5-19)29-14-16-30(17-15-29)26(31)22-8-11-24-21(18-22)12-13-28-24/h1-13,18,25,28H,14-17H2
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Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25804
PNG
(5-({4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C27H27N3O/c1-20-7-9-22(10-8-20)26(21-5-3-2-4-6-21)29-15-17-30(18-16-29)27(31)24-11-12-25-23(19-24)13-14-28-25/h2-14,19,26,28H,15-18H2,1H3
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Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25802
PNG
(1-[(4-methylphenyl)(phenyl)methyl]-4-[(4-methylphe...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C26H28N2O/c1-20-8-12-23(13-9-20)25(22-6-4-3-5-7-22)27-16-18-28(19-17-27)26(29)24-14-10-21(2)11-15-24/h3-15,25H,16-19H2,1-2H3
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Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25803
PNG
(1-[(4-chlorophenyl)(phenyl)methyl]-4-[(4-methylphe...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O/c1-19-7-9-22(10-8-19)25(29)28-17-15-27(16-18-28)24(20-5-3-2-4-6-20)21-11-13-23(26)14-12-21/h2-14,24H,15-18H2,1H3
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Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25800
PNG
(1-[(4-fluorophenyl)(phenyl)methyl]-4-[(4-methylphe...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN2O/c1-19-7-9-22(10-8-19)25(29)28-17-15-27(16-18-28)24(20-5-3-2-4-6-20)21-11-13-23(26)14-12-21/h2-14,24H,15-18H2,1H3
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Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM25805
PNG
(5-({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C26H24ClN3O/c27-23-9-6-20(7-10-23)25(19-4-2-1-3-5-19)29-14-16-30(17-15-29)26(31)22-8-11-24-21(18-22)12-13-28-24/h1-13,18,25,28H,14-17H2
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Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...

Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%