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Compile Data Set for Download or QSAR

Found 90 hits of ic50 for UniProtKB: P0A8V2   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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)		BDBM50391000
PNG
(CB-01-11 | RIFAMYCIN)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:23,t:3,25|
Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
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n/an/a 20n/an/an/an/an/a37



Merck & Co., Inc.



Assay Description
Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...

ACS Chem Biol 12: 1346-1352 (2017)


Article DOI: 10.1021/acschembio.6b01133
BindingDB Entry DOI: 10.7270/Q2VM4B41
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50391000
PNG
(CB-01-11 | RIFAMYCIN)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:23,t:3,25|
Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
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n/an/a 30n/an/an/an/an/a37



Merck & Co., Inc.



Assay Description
Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...

ACS Chem Biol 12: 1346-1352 (2017)


Article DOI: 10.1021/acschembio.6b01133
BindingDB Entry DOI: 10.7270/Q2VM4B41
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592137
PNG
(US11572337, Compound 0MTK149)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccccc3)cc2)c(O)c1
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592141
PNG
(US11572337, Compound 0MTK158)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccccc3)cc2C(F)(F)F)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592173
PNG
(US11572337, Compound 0MTK267)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccc(cc3)-c3cccnc3)cc2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592161
PNG
(US11572337, Compound 0MTK237)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)c(O)c1Cl
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
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)		BDBM592133
PNG
(US11572337, Compound 0MTK127)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Cl)cc2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592145
PNG
(US11572337, Compound 0MTK176)
Show SMILES Cc1cc(Oc2ccc(F)cc2)ccc1CNC(=O)c1c(O)cc(O)cc1O
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592132
PNG
(US11572337, Compound 0MTK107)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Cl)cc2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592142
PNG
(US11572337, Compound 0MTK174)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)c(Cl)c2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592138
PNG
(US11572337, Compound 0MTK154)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592144
PNG
(US11572337, Compound 0MTK175)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)c(F)c2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592146
PNG
(US11572337, Compound 0MTK178)
Show SMILES COc1cc(Oc2ccc(F)cc2)ccc1CNC(=O)c1c(O)cc(O)cc1O
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592164
PNG
(US11572337, Compound 0MTK256)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cccc(Cl)c3)cc2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592135
PNG
(US11572337, Compound 0MTK146)
Show SMILES CC(C)(CNC(=O)c1c(O)cc(O)cc1O)c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592175
PNG
(US11572337, Compound 0MTK269)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cccc(c3)-c3ccncc3)cc2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592159
PNG
(US11572337, Compound 0MTK232)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccc(Cl)cc3)cc2)c(O)c1Cl
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592162
PNG
(US11572337, Compound 0MTK238)
Show SMILES Oc1c(Cl)c(O)c(C(=O)NCCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)c(O)c1Cl
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592166
PNG
(US11572337, Compound 0MTK260)
Show SMILES COc1ccc(Oc2ccc(CCNC(=O)c3c(O)cc(O)cc3O)cc2)cc1
PDB

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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592139
PNG
(US11572337, Compound 0MTK155)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2C(F)(F)F)c(O)c1
PDB

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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592136
PNG
(US11572337, Compound 0MTK148)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccccc3)cc2)c(O)c1
PDB

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n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592174
PNG
(US11572337, Compound 0MTK268)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cccc(c3)C(=O)NC3CC3)cc2)c(O)c1
PDB

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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592165
PNG
(US11572337, Compound 0MTK257)
Show SMILES Cc1ccc(Oc2ccc(CCNC(=O)c3c(O)cc(O)cc3O)cc2)cc1
PDB

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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592170
PNG
(US11572337, Compound 0MTK264)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cccnc3)cc2)c(O)c1
PDB

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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592140
PNG
(US11572337, Compound 0MTK156)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)c(O)c1
PDB

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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592147
PNG
(US11572337, Compound 0MTK180)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)c(O)c1
PDB

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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
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)		BDBM592134
PNG
(US11572337, Compound 0MTK128)
Show SMILES CN(CCc1ccc(Cl)cc1)C(=O)c1c(O)cc(O)cc1O
PDB

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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
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)		BDBM592172
PNG
(US11572337, Compound 0MTK266)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccc(cc3)-c3ccncc3)cc2)c(O)c1
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UniProtKB/SwissProt

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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
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)		BDBM592169
PNG
(US11572337, Compound 0MTK263)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cccc(c3)N3CCOCC3)cc2)c(O)c1
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592171
PNG
(US11572337, Compound 0MTK265)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccncc3)cc2)c(O)c1
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592148
PNG
(US11572337, Compound 0MTK181)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2Cl)c(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592168
PNG
(US11572337, Compound 0MTK262)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cncnc3)cc2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592167
PNG
(US11572337, Compound 0MTK261)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccc(cc3)N3CCOCC3)cc2)c(O)c1
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TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592149
PNG
(US11572337, Compound 0MTK183)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccc(Cl)cc3)cc2)c(O)c1
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM228835
PNG
(MRL-436)
Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H22N4O/c1-15(2)14-21-26-27-23-20(12-7-13-28(21)23)24(29)25-22-18-10-5-3-8-16(18)17-9-4-6-11-19(17)22/h3-13,15,22H,14H2,1-2H3,(H,25,29)
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n/an/a 2.00E+3n/an/an/an/an/a37



Merck & Co., Inc.



Assay Description
Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...

ACS Chem Biol 12: 1346-1352 (2017)


Article DOI: 10.1021/acschembio.6b01133
BindingDB Entry DOI: 10.7270/Q2VM4B41
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592163
PNG
(US11572337, Compound 0MTK240)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)c(O)c1Cl
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
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 alpha/beta/beta'/omega


(Escherichia coli K-12)		BDBM50000054
PNG
(CHEMBL3228735)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(NC5CC(C)(C)[N+]([O-])C(C)(C)C5)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C |r,wU:12.13,8.107,51.53,46.48,1.0,wD:45.46,72.79,87.94,82.89,64.66,^1:35,(36.21,-4.82,;37.96,-4.15,;36.92,-3.01,;37.68,-1.67,;39.19,-1.98,;39.37,-3.5,;40.71,-4.27,;40.71,-5.81,;42.04,-3.5,;43.37,-4.27,;45.91,-10.38,;47.24,-11.15,;44.57,-11.13,;44.56,-12.67,;45.89,-13.46,;47.22,-12.69,;45.88,-15,;44.55,-15.75,;44.53,-17.29,;45.86,-18.08,;45.84,-19.62,;47.2,-17.31,;48.52,-18.08,;49.85,-17.33,;51.16,-18.1,;51.14,-19.65,;52.48,-17.34,;53.82,-18.12,;52.49,-15.82,;53.82,-15.05,;55.16,-15.82,;55.15,-17.35,;56.47,-18.11,;57.24,-19.44,;55.7,-19.44,;57.81,-17.36,;59.14,-18.13,;57.81,-15.81,;58.9,-14.72,;59.31,-16.21,;56.48,-15.04,;51.16,-15.05,;51.18,-13.51,;49.86,-12.74,;52.52,-12.74,;52.52,-11.2,;53.86,-10.43,;53.87,-8.91,;55.19,-11.22,;56.53,-10.45,;56.53,-8.91,;57.86,-11.22,;57.85,-12.76,;59.19,-13.53,;56.52,-13.53,;59.2,-10.45,;60.53,-11.24,;59.21,-8.91,;57.87,-8.14,;60.54,-8.16,;60.54,-6.6,;61.9,-5.85,;59.21,-5.83,;57.88,-6.6,;59.23,-4.29,;60.88,-5.16,;60.49,-3.4,;60.01,-1.93,;58.47,-1.93,;57.99,-3.38,;56.65,-4.15,;56.65,-5.69,;55.32,-3.38,;53.98,-4.13,;51.19,-10.43,;49.86,-11.19,;55.32,-1.82,;53.99,-1.05,;56.66,-1.05,;49.86,-15.8,;48.53,-15.03,;47.21,-15.77,;43.24,-10.36,;43.25,-8.82,;41.9,-11.12,;40.57,-10.34,;40.59,-8.8,;39.24,-11.1,;39.22,-12.64,;40.55,-13.42,;37.89,-13.39,;37.9,-10.31,;36.57,-11.08,;37.91,-8.77,;39.26,-8.02,;36.58,-8,;36.6,-6.46,;35.27,-5.67,;37.95,-5.69,;39.26,-6.46,;42.02,-1.96,;43.36,-1.19,;40.69,-1.19,)|
Show InChI InChI=1S/C71H102N13O17/c1-33(2)48-66(94)82-27-21-23-43(82)64(92)78(17)31-45(85)80(19)55(35(5)6)68(96)99-39(11)50(62(90)74-48)76-60(88)42-26-25-37(9)58-52(42)73-54-47(53(57(87)38(10)59(54)101-58)72-41-29-70(13,14)84(98)71(15,16)30-41)61(89)77-51-40(12)100-69(97)56(36(7)8)81(20)46(86)32-79(18)65(93)44-24-22-28-83(44)67(95)49(34(3)4)75-63(51)91/h25-26,33-36,39-41,43-44,48-51,55-56,72H,21-24,27-32H2,1-20H3,(H,74,90)(H,75,91)(H,76,88)(H,77,89)/t39-,40-,43+,44+,48-,49-,50+,51+,55+,56+/m1/s1
PDB

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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA-dependent RNA polymerase

J Med Chem 22: 1051-5 (1979)


BindingDB Entry DOI: 10.7270/Q2SQ91WG
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM228835
PNG
(MRL-436)
Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H22N4O/c1-15(2)14-21-26-27-23-20(12-7-13-28(21)23)24(29)25-22-18-10-5-3-8-16(18)17-9-4-6-11-19(17)22/h3-13,15,22H,14H2,1-2H3,(H,25,29)
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n/an/a 3.00E+3n/an/an/an/an/a37



Merck & Co., Inc.



Assay Description
Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...

ACS Chem Biol 12: 1346-1352 (2017)


Article DOI: 10.1021/acschembio.6b01133
BindingDB Entry DOI: 10.7270/Q2VM4B41
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592176
PNG
(US11572337, Compound 3RKHTK161)
Show SMILES CCC1=C(O)C(CC)(CC)C(=O)C(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)=C1O |c:2,33|
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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
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
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592160
PNG
(US11572337, Compound 0MTK233)
Show SMILES Oc1c(Cl)c(O)c(C(=O)NCCc2ccc(Oc3ccc(Cl)cc3)cc2)c(O)c1Cl
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592155
PNG
(US11572337, Compound 0MTK223)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(cc2)C(F)(F)F)c(O)c1Cl
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n/an/a 6.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592154
PNG
(US11572337, Compound 0MTK222)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Cl)cc2)c(O)c1Cl
PDB

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n/an/a 6.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM592150
PNG
(US11572337, Compound 0MTK204)
Show SMILES Oc1cc(O)c(C(=O)NCCCc2ccc(Cl)cc2)c(O)c1
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5DR6
More data for this
Ligand-Target Pair
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