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Compile Data Set for Download or QSAR

Found 260 hits of ic50 data for polymerid = 4582,9828   
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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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
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)
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
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)
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
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)
BDBM592144
PNG
(US11572337, Compound 0MTK175)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)c(F)c2)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)
BDBM592146
PNG
(US11572337, Compound 0MTK178)
Show SMILES COc1cc(Oc2ccc(F)cc2)ccc1CNC(=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)
BDBM592164
PNG
(US11572337, Compound 0MTK256)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cccc(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)
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
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)
BDBM592159
PNG
(US11572337, Compound 0MTK232)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccc(Cl)cc3)cc2)c(O)c1Cl
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)
BDBM592162
PNG
(US11572337, Compound 0MTK238)
Show SMILES Oc1c(Cl)c(O)c(C(=O)NCCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)c(O)c1Cl
PDB

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n/an/a 770n/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)
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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n/an/a 790n/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)
BDBM592136
PNG
(US11572337, Compound 0MTK148)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccccc3)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)
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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n/an/a 830n/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
PDB

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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
PDB

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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
PDB

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)
BDBM592171
PNG
(US11572337, Compound 0MTK265)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccncc3)cc2)c(O)c1
PDB

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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)
BDBM592169
PNG
(US11572337, Compound 0MTK263)
Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cccc(c3)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)
BDBM592148
PNG
(US11572337, Compound 0MTK181)
Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2Cl)c(O)c1
PDB

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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
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)
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)
BDBM50491557
PNG
(CHEMBL2046886)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(OCCCCN6CCN(CCn7ccnc7)CC6)cccc5oc4c(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:52,t:3,54|
Show InChI InChI=1S/C56H70N6O13/c1-31-14-12-15-32(2)55(69)59-46-50(67)42-41(45-53(46)74-40-17-13-16-39(44(40)58-45)71-28-11-10-20-60-22-24-61(25-23-60)26-27-62-21-19-57-30-62)43-52(36(6)49(42)66)75-56(8,54(43)68)72-29-18-38(70-9)33(3)51(73-37(7)63)35(5)48(65)34(4)47(31)64/h12-19,21,29-31,33-35,38,47-48,51,64-66H,10-11,20,22-28H2,1-9H3,(H,59,69)/b14-12+,29-18+,32-15-/t31-,33+,34+,35+,38-,47-,48+,51+,56-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of rifamycin-resistant Escherichia coli RNA polymerase D516V mutant after 10 mins by rolling circle transcription assay in presence of DNA...


J Med Chem 56: 4758-63 (2013)


Article DOI: 10.1021/jm4004889
BindingDB Entry DOI: 10.7270/Q2SF303Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
PDB

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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 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)
BDBM41193
PNG
(1-(2-Chloro-benzyl)-8-hydroxy-6-methyl-1H-[1,2,4]t...)
Show SMILES Cc1cc(O)c2[n+](Cc3ccccc3Cl)ncn2n1
Show InChI InChI=1S/C13H11ClN4O/c1-9-6-12(19)13-17(15-8-18(13)16-9)7-10-4-2-3-5-11(10)14/h2-6,8H,7H2,1H3/p+1
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n/an/a 6.42E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
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
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