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PubMed code 15482944

Compile data set for download or QSAR
Found 7 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
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50155485
PNG
(CHEMBL184023 | Myxopyronin B | methyl (E)-5-(5-((2...)
Show SMILES CCCCC(C)=CC=C(C)C(=O)c1c(O)cc(CCCCC=NC(=O)OC)oc1=O |w:22.22,7.6,4.4|
Show InChI InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h12-15,25H,5-11H2,1-4H3
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n/an/a 340n/an/an/an/an/an/a



Anadys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against RNA polymerase of Escherichia coli

Bioorg Med Chem Lett 14: 5667-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.045
BindingDB Entry DOI: 10.7270/Q2C53KBD
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50155484
PNG
(CHEMBL185761 | CHEMBL186013 | CHEMBL186014 | {(E)-...)
Show SMILES CCCCC(C)=CC=C(C)C(=O)c1c(O)cc(oc1=O)C(C)CCCC=NC(=O)OC |w:26.27,7.6,4.4|
Show InChI InChI=1S/C24H33NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h12-15,17,26H,6-11H2,1-5H3
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n/an/a 920n/an/an/an/an/an/a



Anadys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against RNA polymerase of Escherichia coli

Bioorg Med Chem Lett 14: 5667-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.045
BindingDB Entry DOI: 10.7270/Q2C53KBD
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50155487
PNG
(CHEMBL185900 | {(E)-5-[4-Hydroxy-5-((2E,4E)-2-meth...)
Show SMILES CCCCC=CC=C(C)C(=O)c1c(O)cc(oc1=O)C(C)CCCC=NC(=O)OC |w:25.26,6.5,4.3|
Show InChI InChI=1S/C23H31NO6/c1-5-6-7-8-9-13-17(3)21(26)20-18(25)15-19(30-22(20)27)16(2)12-10-11-14-24-23(28)29-4/h8-9,13-16,25H,5-7,10-12H2,1-4H3
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n/an/a 1.04E+3n/an/an/an/an/an/a



Anadys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against RNA polymerase of Escherichia coli

Bioorg Med Chem Lett 14: 5667-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.045
BindingDB Entry DOI: 10.7270/Q2C53KBD
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50155484
PNG
(CHEMBL185761 | CHEMBL186013 | CHEMBL186014 | {(E)-...)
Show SMILES CCCCC(C)=CC=C(C)C(=O)c1c(O)cc(oc1=O)C(C)CCCC=NC(=O)OC |w:26.27,7.6,4.4|
Show InChI InChI=1S/C24H33NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h12-15,17,26H,6-11H2,1-5H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Anadys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against RNA polymerase of Escherichia coli

Bioorg Med Chem Lett 14: 5667-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.045
BindingDB Entry DOI: 10.7270/Q2C53KBD
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50155484
PNG
(CHEMBL185761 | CHEMBL186013 | CHEMBL186014 | {(E)-...)
Show SMILES CCCCC(C)=CC=C(C)C(=O)c1c(O)cc(oc1=O)C(C)CCCC=NC(=O)OC |w:26.27,7.6,4.4|
Show InChI InChI=1S/C24H33NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h12-15,17,26H,6-11H2,1-5H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Anadys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against RNA polymerase of Escherichia coli

Bioorg Med Chem Lett 14: 5667-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.045
BindingDB Entry DOI: 10.7270/Q2C53KBD
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50155483
PNG
(CHEMBL185927 | {5-[5-((2E,4E)-2,5-Dimethyl-nona-2,...)
Show SMILES CCCCC(C)=CC=C(C)C(=O)c1c(O)cc(oc1=O)C(C)CCCCNC(=O)OC |w:7.6,4.4|
Show InChI InChI=1S/C24H35NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h12-13,15,17,26H,6-11,14H2,1-5H3,(H,25,29)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Anadys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against RNA polymerase of Escherichia coli

Bioorg Med Chem Lett 14: 5667-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.045
BindingDB Entry DOI: 10.7270/Q2C53KBD
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50155489
PNG
(CHEMBL185050 | {(E)-5-[5-((2E,4E)-2,5-Dimethyl-non...)
Show SMILES CCCCC(C)=CC=C(C)C(=O)c1c(OC)cc(oc1=O)C(C)CCCC=NC(=O)OC |w:27.28,7.6,4.4|
Show InChI InChI=1S/C25H35NO6/c1-7-8-11-17(2)13-14-19(4)23(27)22-21(30-5)16-20(32-24(22)28)18(3)12-9-10-15-26-25(29)31-6/h13-16,18H,7-12H2,1-6H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Anadys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against RNA polymerase of Escherichia coli

Bioorg Med Chem Lett 14: 5667-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.045
BindingDB Entry DOI: 10.7270/Q2C53KBD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%