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PubMed code 14980695

Compile data set for download or QSAR
Found 14 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
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140728
PNG
(13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...)
Show SMILES O[C@H]1c2ccccc2[C@@H]2OC(=O)[C@H]3[C@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21+,22+,23+,26+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Escherichia coli phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140728
PNG
(13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...)
Show SMILES O[C@H]1c2ccccc2[C@@H]2OC(=O)[C@H]3[C@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21+,22+,23+,26+/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140729
PNG
(13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...)
Show SMILES O[C@@H]1c2ccccc2[C@@H]2OC(=O)[C@H]3[C@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21+,22-,23+,26+/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140729
PNG
(13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...)
Show SMILES O[C@@H]1c2ccccc2[C@@H]2OC(=O)[C@H]3[C@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21+,22-,23+,26+/m1/s1
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n/an/a 510n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140727
PNG
(5-(3,4-dichlorophenyl)-3-phenyl-(3R,3aR,6aS)-spiro...)
Show SMILES Oc1c2[C@@H](OC3(C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C26H15Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(32)19-20(25(29)33)26(34-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,21,32-33H/t21-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Escherichia coli phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140725
PNG
(13N-(3,4-dichlorophenyl)-2,11-dioxo-14-phenyl-(1R,...)
Show SMILES Clc1ccc(NC(=O)[C@H]2[C@@H](O[C@@]34[C@@H](OC(=O)[C@@H]23)c2ccccc2C4=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C26H17Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-21,23H,(H,29,31)/t19-,20-,21+,23+,26+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140725
PNG
(13N-(3,4-dichlorophenyl)-2,11-dioxo-14-phenyl-(1R,...)
Show SMILES Clc1ccc(NC(=O)[C@H]2[C@@H](O[C@@]34[C@@H](OC(=O)[C@@H]23)c2ccccc2C4=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C26H17Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-21,23H,(H,29,31)/t19-,20-,21+,23+,26+/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Escherichia coli phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140726
PNG
(13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...)
Show SMILES OC1c2ccccc2C2OC(=O)[C@@H]3[C@@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21-,22?,23?,26-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Escherichia coli phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140726
PNG
(13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...)
Show SMILES OC1c2ccccc2C2OC(=O)[C@@H]3[C@@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21-,22?,23?,26-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Escherichia coli phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140727
PNG
(5-(3,4-dichlorophenyl)-3-phenyl-(3R,3aR,6aS)-spiro...)
Show SMILES Oc1c2[C@@H](OC3(C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C26H15Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(32)19-20(25(29)33)26(34-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,21,32-33H/t21-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140730
PNG
(4-(3,4-dichlorophenylcarbamoyl)-1',3'-dioxo-5-phen...)
Show SMILES OC(=O)[C@@H]1[C@@H]([C@@H](OC11C(=O)c2ccccc2C1=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H17Cl2NO6/c27-17-11-10-14(12-18(17)28)29-24(32)19-20(25(33)34)26(35-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H,(H,29,32)(H,33,34)/t19-,20-,21-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Escherichia coli phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140726
PNG
(13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...)
Show SMILES OC1c2ccccc2C2OC(=O)[C@@H]3[C@@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21-,22?,23?,26-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Escherichia coli phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140730
PNG
(4-(3,4-dichlorophenylcarbamoyl)-1',3'-dioxo-5-phen...)
Show SMILES OC(=O)[C@@H]1[C@@H]([C@@H](OC11C(=O)c2ccccc2C1=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H17Cl2NO6/c27-17-11-10-14(12-18(17)28)29-24(32)19-20(25(33)34)26(35-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H,(H,29,32)(H,33,34)/t19-,20-,21-/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial


(Homo sapiens (Human))		BDBM50140726
PNG
(13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...)
Show SMILES OC1c2ccccc2C2OC(=O)[C@@H]3[C@@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21-,22?,23?,26-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase

Bioorg Med Chem Lett 14: 1343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.082
BindingDB Entry DOI: 10.7270/Q2K073Q6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%