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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with Target = 'Bacterial DNA-directed RNA polymerase'   
Target
(Institution)
LigandTarget
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
RNA polymerase subunit beta (β-RNAP)


(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
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/an/a



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)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(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
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/an/a



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)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM228835
PNG
(MRL-436)
Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12
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n/an/a 2.00E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Bacterial DNA-directed RNA polymerase


(Escherichia coli K-12)
BDBM50000054
PNG
(CHEMBL3228735)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(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@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O
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
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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)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM228835
PNG
(MRL-436)
Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12
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n/an/a 3.00E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142052
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O5/c34-21-7-8-23-22(14-21)19(15-30-23)13-25(29(36)37)32-28(35)17-6-9-26-24(12-17)31-27(18-10-11-38-16-18)33(26)20-4-2-1-3-5-20/h6-12,14-16,20,25,30,34H,1-5,13H2,(H,32,35)(H,36,37)/t25-/m0/s1
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n/an/a 7.90E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142043
PNG
((2S)-3-(5-(carboxymethoxy)-1H-indol-3-yl)-2-(1-cyc...)
Show SMILES OC(=O)COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H30N4O7/c36-28(37)17-42-22-7-8-24-23(14-22)20(15-32-24)13-26(31(39)40)34-30(38)18-6-9-27-25(12-18)33-29(19-10-11-41-16-19)35(27)21-4-2-1-3-5-21/h6-12,14-16,21,26,32H,1-5,13,17H2,(H,34,38)(H,36,37)(H,39,40)/t26-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142045
PNG
((S)-3-(5-Acetylamino-1H-indol-3-yl)-2-[(1-cyclohex...)
Show SMILES CC(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H31N5O5/c1-18(37)33-22-8-9-25-24(15-22)21(16-32-25)14-27(31(39)40)35-30(38)19-7-10-28-26(13-19)34-29(20-11-12-41-17-20)36(28)23-5-3-2-4-6-23/h7-13,15-17,23,27,32H,2-6,14H2,1H3,(H,33,37)(H,35,38)(H,39,40)/t27-/m0/s1
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n/an/a>1.25E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142041
PNG
(3-{(S)-2-Carboxy-2-[(1-cyclohexyl-2-furan-3-yl-1H-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)C(O)=O)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N4O6/c35-28(33-25(30(38)39)14-20-15-31-23-8-6-18(29(36)37)12-22(20)23)17-7-9-26-24(13-17)32-27(19-10-11-40-16-19)34(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,35)(H,36,37)(H,38,39)/t25-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142061
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O4/c34-28(32-25(29(35)36)15-20-16-30-23-9-5-4-8-22(20)23)18-10-11-26-24(14-18)31-27(19-12-13-37-17-19)33(26)21-6-2-1-3-7-21/h4-5,8-14,16-17,21,25,30H,1-3,6-7,15H2,(H,32,34)(H,35,36)/t25-/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142056
PNG
((S)-3-(5-Carbamoyl-1H-indol-3-yl)-2-[(1-cyclohexyl...)
Show SMILES NC(=O)c1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H29N5O5/c31-27(36)17-6-8-23-22(12-17)20(15-32-23)14-25(30(38)39)34-29(37)18-7-9-26-24(13-18)33-28(19-10-11-40-16-19)35(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,32H,1-5,14H2,(H2,31,36)(H,34,37)(H,38,39)/t25-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142047
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)-c1nnn[nH]1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N8O4/c39-29(33-25(30(40)41)14-20-15-31-23-8-6-17(12-22(20)23)27-34-36-37-35-27)18-7-9-26-24(13-18)32-28(19-10-11-42-16-19)38(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,39)(H,40,41)(H,34,35,36,37)/t25-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142043
PNG
((2S)-3-(5-(carboxymethoxy)-1H-indol-3-yl)-2-(1-cyc...)
Show SMILES OC(=O)COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H30N4O7/c36-28(37)17-42-22-7-8-24-23(14-22)20(15-32-24)13-26(31(39)40)34-30(38)18-6-9-27-25(12-18)33-29(19-10-11-41-16-19)35(27)21-4-2-1-3-5-21/h6-12,14-16,21,26,32H,1-5,13,17H2,(H,34,38)(H,36,37)(H,39,40)/t26-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142044
PNG
((S)-3-[5-(1-Carboxy-1-methyl-ethoxy)-1H-indol-3-yl...)
Show SMILES CC(C)(Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1)C(O)=O
Show InChI InChI=1S/C33H34N4O7/c1-33(2,32(41)42)44-23-9-10-25-24(16-23)21(17-34-25)15-27(31(39)40)36-30(38)19-8-11-28-26(14-19)35-29(20-12-13-43-18-20)37(28)22-6-4-3-5-7-22/h8-14,16-18,22,27,34H,3-7,15H2,1-2H3,(H,36,38)(H,39,40)(H,41,42)/t27-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142052
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O5/c34-21-7-8-23-22(14-21)19(15-30-23)13-25(29(36)37)32-28(35)17-6-9-26-24(12-17)31-27(18-10-11-38-16-18)33(26)20-4-2-1-3-5-20/h6-12,14-16,20,25,30,34H,1-5,13H2,(H,32,35)(H,36,37)/t25-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142042
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NC(=O)C(O)=O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C31H29N5O7/c37-28(35-25(30(39)40)13-19-15-32-23-8-7-20(14-22(19)23)33-29(38)31(41)42)17-6-9-26-24(12-17)34-27(18-10-11-43-16-18)36(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,32H,1-5,13H2,(H,33,38)(H,35,37)(H,39,40)(H,41,42)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142056
PNG
((S)-3-(5-Carbamoyl-1H-indol-3-yl)-2-[(1-cyclohexyl...)
Show SMILES NC(=O)c1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H29N5O5/c31-27(36)17-6-8-23-22(12-17)20(15-32-23)14-25(30(38)39)34-29(37)18-7-9-26-24(13-18)33-28(19-10-11-40-16-19)35(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,32H,1-5,14H2,(H2,31,36)(H,34,37)(H,38,39)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142041
PNG
(3-{(S)-2-Carboxy-2-[(1-cyclohexyl-2-furan-3-yl-1H-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)C(O)=O)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N4O6/c35-28(33-25(30(38)39)14-20-15-31-23-8-6-18(29(36)37)12-22(20)23)17-7-9-26-24(13-17)32-27(19-10-11-40-16-19)34(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,35)(H,36,37)(H,38,39)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142048
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28F3N5O6S/c31-30(32,33)45(42,43)37-20-7-8-23-22(14-20)19(15-34-23)13-25(29(40)41)36-28(39)17-6-9-26-24(12-17)35-27(18-10-11-44-16-18)38(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,34,37H,1-5,13H2,(H,36,39)(H,40,41)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142053
PNG
((S)-3-(5-Amino-1H-indol-3-yl)-2-[(1-cyclohexyl-2-f...)
Show SMILES Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C29H29N5O4/c30-20-7-8-23-22(14-20)19(15-31-23)13-25(29(36)37)33-28(35)17-6-9-26-24(12-17)32-27(18-10-11-38-16-18)34(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,31H,1-5,13,30H2,(H,33,35)(H,36,37)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142042
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NC(=O)C(O)=O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C31H29N5O7/c37-28(35-25(30(39)40)13-19-15-32-23-8-7-20(14-22(19)23)33-29(38)31(41)42)17-6-9-26-24(12-17)34-27(18-10-11-43-16-18)36(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,32H,1-5,13H2,(H,33,38)(H,35,37)(H,39,40)(H,41,42)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142048
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28F3N5O6S/c31-30(32,33)45(42,43)37-20-7-8-23-22(14-20)19(15-34-23)13-25(29(40)41)36-28(39)17-6-9-26-24(12-17)35-27(18-10-11-44-16-18)38(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,34,37H,1-5,13H2,(H,36,39)(H,40,41)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142045
PNG
((S)-3-(5-Acetylamino-1H-indol-3-yl)-2-[(1-cyclohex...)
Show SMILES CC(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H31N5O5/c1-18(37)33-22-8-9-25-24(15-22)21(16-32-25)14-27(31(39)40)35-30(38)19-7-10-28-26(13-19)34-29(20-11-12-41-17-20)36(28)23-5-3-2-4-6-23/h7-13,15-17,23,27,32H,2-6,14H2,1H3,(H,33,37)(H,35,38)(H,39,40)/t27-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142047
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)-c1nnn[nH]1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N8O4/c39-29(33-25(30(40)41)14-20-15-31-23-8-6-17(12-22(20)23)27-34-36-37-35-27)18-7-9-26-24(13-18)32-28(19-10-11-42-16-19)38(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,39)(H,40,41)(H,34,35,36,37)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142061
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O4/c34-28(32-25(29(35)36)15-20-16-30-23-9-5-4-8-22(20)23)18-10-11-26-24(14-18)31-27(19-12-13-37-17-19)33(26)21-6-2-1-3-7-21/h4-5,8-14,16-17,21,25,30H,1-3,6-7,15H2,(H,32,34)(H,35,36)/t25-/m0/s1
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n/an/a 3.16E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142049
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H31N5O6S/c1-42(39,40)34-21-8-9-24-23(15-21)20(16-31-24)14-26(30(37)38)33-29(36)18-7-10-27-25(13-18)32-28(19-11-12-41-17-19)35(27)22-5-3-2-4-6-22/h7-13,15-17,22,26,31,34H,2-6,14H2,1H3,(H,33,36)(H,37,38)/t26-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50142053
PNG
((S)-3-(5-Amino-1H-indol-3-yl)-2-[(1-cyclohexyl-2-f...)
Show SMILES Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C29H29N5O4/c30-20-7-8-23-22(14-20)19(15-31-23)13-25(29(36)37)33-28(35)17-6-9-26-24(12-17)32-27(18-10-11-38-16-18)34(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,31H,1-5,13,30H2,(H,33,35)(H,36,37)/t25-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137472
PNG
(1-Cyclohexyl-2-pyridin-3-yl-1H-benzoimidazole-5-ca...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C19H19N3O2/c23-19(24)13-8-9-17-16(11-13)21-18(14-5-4-10-20-12-14)22(17)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,23,24)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137458
PNG
(1-Cyclohexyl-2-(1H-pyrrol-2-yl)-1H-benzoimidazole-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc[nH]1
Show InChI InChI=1S/C18H19N3O2/c22-18(23)12-8-9-16-15(11-12)20-17(14-7-4-10-19-14)21(16)13-5-2-1-3-6-13/h4,7-11,13,19H,1-3,5-6H2,(H,22,23)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137479
PNG
(1-Cyclohexyl-2-phenyl-1H-benzoimidazole-5-carboxyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,23,24)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137481
PNG
(1-Cyclohexyl-2-(1H-imidazol-2-yl)-1H-benzoimidazol...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ncc[nH]1
Show InChI InChI=1S/C17H18N4O2/c22-17(23)11-6-7-14-13(10-11)20-16(15-18-8-9-19-15)21(14)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,18,19)(H,22,23)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137467
PNG
(1-Cyclohexyl-2-thiophen-2-yl-1H-benzoimidazole-5-c...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1cccs1
Show InChI InChI=1S/C18H18N2O2S/c21-18(22)12-8-9-15-14(11-12)19-17(16-7-4-10-23-16)20(15)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,21,22)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137462
PNG
(1-Cyclohexyl-2-thiazol-2-yl-1H-benzoimidazole-5-ca...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1nccs1
Show InChI InChI=1S/C17H17N3O2S/c21-17(22)11-6-7-14-13(10-11)19-15(16-18-8-9-23-16)20(14)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,21,22)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137504
PNG
(1-Cyclohexyl-2-furan-2-yl-1H-benzoimidazole-5-carb...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C18H18N2O3/c21-18(22)12-8-9-15-14(11-12)19-17(16-7-4-10-23-16)20(15)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,21,22)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137475
PNG
(1-Cyclohexyl-2-(1-methyl-1H-pyrrol-2-yl)-1H-benzoi...)
Show SMILES Cn1cccc1-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C19H21N3O2/c1-21-11-5-8-17(21)18-20-15-12-13(19(23)24)9-10-16(15)22(18)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7H2,1H3,(H,23,24)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137473
PNG
(1-Cyclohexyl-2-pyridin-4-yl-1H-benzoimidazole-5-ca...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccncc1
Show InChI InChI=1S/C19H19N3O2/c23-19(24)14-6-7-17-16(12-14)21-18(13-8-10-20-11-9-13)22(17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,23,24)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137480
PNG
(1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidazole-5-ca...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1
Show InChI InChI=1S/C19H19N3O2/c23-19(24)13-9-10-17-16(12-13)21-18(15-8-4-5-11-20-15)22(17)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,23,24)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137488
PNG
(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carb...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C18H18N2O3/c21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,22)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137490
PNG
(1-Cyclohexyl-2-thiophen-3-yl-1H-benzoimidazole-5-c...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C18H18N2O2S/c21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,22)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)

More data for this
Ligand-Target Pair