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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with Target = 'Replicative DNA helicase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400427
PNG
(CHEMBL2178445)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccc(Cl)cc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C27H23ClO5/c1-16-22-11-13-24(17(2)26(22)33-27(31)23(16)12-14-25(29)30)32-15-18-3-5-19(6-4-18)20-7-9-21(28)10-8-20/h3-11,13H,12,14-15H2,1-2H3,(H,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400420
PNG
(CHEMBL2178452)
Show SMILES CN(C)CCNC(=O)CCc1c(C)c2ccc(OCc3ccc(cc3)-c3ccccc3)c(C)c2oc1=O
Show InChI InChI=1S/C31H34N2O4/c1-21-26-14-16-28(36-20-23-10-12-25(13-11-23)24-8-6-5-7-9-24)22(2)30(26)37-31(35)27(21)15-17-29(34)32-18-19-33(3)4/h5-14,16H,15,17-20H2,1-4H3,(H,32,34)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400418
PNG
(CHEMBL2178454)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CCCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C28H26O5/c1-18-23-15-16-25(19(2)27(23)33-28(31)24(18)9-6-10-26(29)30)32-17-20-11-13-22(14-12-20)21-7-4-3-5-8-21/h3-5,7-8,11-16H,6,9-10,17H2,1-2H3,(H,29,30)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400416
PNG
(CHEMBL2178456)
Show SMILES CCc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C28H26O5/c1-3-22-25(32-17-19-9-11-21(12-10-19)20-7-5-4-6-8-20)15-13-23-18(2)24(14-16-26(29)30)28(31)33-27(22)23/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400429
PNG
(CHEMBL2178443)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C27H24O5/c1-17-22-12-14-24(18(2)26(22)32-27(30)23(17)13-15-25(28)29)31-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-12,14H,13,15-16H2,1-2H3,(H,28,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400424
PNG
(CHEMBL2178448)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccc(Cl)c(Cl)c2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C27H22Cl2O5/c1-15-20-8-11-24(16(2)26(20)34-27(32)21(15)9-12-25(30)31)33-14-17-3-5-18(6-4-17)19-7-10-22(28)23(29)13-19/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,30,31)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400428
PNG
(CHEMBL2178444)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccccc2C#N)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C28H23NO5/c1-17-22-11-13-25(18(2)27(22)34-28(32)23(17)12-14-26(30)31)33-16-19-7-9-20(10-8-19)24-6-4-3-5-21(24)15-29/h3-11,13H,12,14,16H2,1-2H3,(H,30,31)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50179000
PNG
(CHEMBL205726 | N2-(4-chlorophenyl)-N4-(2-morpholin...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H23ClN8O3/c22-15-1-3-16(4-2-15)24-20-26-19(23-9-10-29-11-13-33-14-12-29)27-21(28-20)25-17-5-7-18(8-6-17)30(31)32/h1-8H,9-14H2,(H3,23,24,25,26,27,28)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400415
PNG
(CHEMBL2178457)
Show SMILES CCc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CCCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C29H28O5/c1-3-23-26(33-18-20-12-14-22(15-13-20)21-8-5-4-6-9-21)17-16-24-19(2)25(10-7-11-27(30)31)29(32)34-28(23)24/h4-6,8-9,12-17H,3,7,10-11,18H2,1-2H3,(H,30,31)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50179001
PNG
(CHEMBL204761 | N2,N4-bis(3,4-difluorophenyl)-6-(4-...)
Show SMILES CC(C)CN1CCN(CC1)c1nc(Nc2ccc(F)c(F)c2)nc(Nc2ccc(F)c(F)c2)n1
Show InChI InChI=1S/C23H25F4N7/c1-14(2)13-33-7-9-34(10-8-33)23-31-21(28-15-3-5-17(24)19(26)11-15)30-22(32-23)29-16-4-6-18(25)20(27)12-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,29,30,31,32)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50179004
PNG
(CHEMBL203999 | N2,N4-bis(3,4-difluorophenyl)-6-(4-...)
Show SMILES Fc1ccc(Nc2nc(Nc3ccc(F)c(F)c3)nc(n2)N2CCN(CCOc3ccccc3)CC2)cc1F
Show InChI InChI=1S/C27H25F4N7O/c28-21-8-6-18(16-23(21)30)32-25-34-26(33-19-7-9-22(29)24(31)17-19)36-27(35-25)38-12-10-37(11-13-38)14-15-39-20-4-2-1-3-5-20/h1-9,16-17H,10-15H2,(H2,32,33,34,35,36)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400426
PNG
(CHEMBL2178446)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccc(F)cc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C27H23FO5/c1-16-22-11-13-24(17(2)26(22)33-27(31)23(16)12-14-25(29)30)32-15-18-3-5-19(6-4-18)20-7-9-21(28)10-8-20/h3-11,13H,12,14-15H2,1-2H3,(H,29,30)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50179007
PNG
(6-(4-benzylpiperazin-1-yl)-N2,N4-bis(3,4-difluorop...)
Show SMILES Fc1ccc(Nc2nc(Nc3ccc(F)c(F)c3)nc(n2)N2CCN(Cc3ccccc3)CC2)cc1F
Show InChI InChI=1S/C26H23F4N7/c27-20-8-6-18(14-22(20)29)31-24-33-25(32-19-7-9-21(28)23(30)15-19)35-26(34-24)37-12-10-36(11-13-37)16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,31,32,33,34,35)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50178998
PNG
(1-(4-(4,6-bis(4-bromophenylamino)-1,3,5-triazin-2-...)
Show SMILES CC(=O)c1ccc(Nc2nc(Nc3ccc(Br)cc3)nc(Nc3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C23H18Br2N6O/c1-14(32)15-2-8-18(9-3-15)26-21-29-22(27-19-10-4-16(24)5-11-19)31-23(30-21)28-20-12-6-17(25)7-13-20/h2-13H,1H3,(H3,26,27,28,29,30,31)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400425
PNG
(CHEMBL2178447)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C28H23F3O5/c1-16-22-11-13-24(17(2)26(22)36-27(34)23(16)12-14-25(32)33)35-15-18-3-5-19(6-4-18)20-7-9-21(10-8-20)28(29,30)31/h3-11,13H,12,14-15H2,1-2H3,(H,32,33)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400435
PNG
(CHEMBL2177806)
Show SMILES Cc1c(OCc2c3ccccc3cc3ccccc23)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C29H24O5/c1-17-21-11-13-26(18(2)28(21)34-29(32)22(17)12-14-27(30)31)33-16-25-23-9-5-3-7-19(23)15-20-8-4-6-10-24(20)25/h3-11,13,15H,12,14,16H2,1-2H3,(H,30,31)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400431
PNG
(CHEMBL2177810)
Show SMILES Cc1c(OCc2cccc(c2)-c2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C27H24O5/c1-17-22-11-13-24(18(2)26(22)32-27(30)23(17)12-14-25(28)29)31-16-19-7-6-10-21(15-19)20-8-4-3-5-9-20/h3-11,13,15H,12,14,16H2,1-2H3,(H,28,29)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400440
PNG
(CHEMBL2177801)
Show SMILES Cc1c(OCc2ccc3ccccc3c2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C25H22O5/c1-15-20-9-11-22(16(2)24(20)30-25(28)21(15)10-12-23(26)27)29-14-17-7-8-18-5-3-4-6-19(18)13-17/h3-9,11,13H,10,12,14H2,1-2H3,(H,26,27)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400423
PNG
(CHEMBL2178449)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccc(F)cc2F)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C27H22F2O5/c1-15-20-9-11-24(16(2)26(20)34-27(32)21(15)10-12-25(30)31)33-14-17-3-5-18(6-4-17)22-8-7-19(28)13-23(22)29/h3-9,11,13H,10,12,14H2,1-2H3,(H,30,31)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400419
PNG
(CHEMBL2178453)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CC(O)=O)c(=O)oc12
Show InChI InChI=1S/C26H22O5/c1-16-21-12-13-23(17(2)25(21)31-26(29)22(16)14-24(27)28)30-15-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3,(H,27,28)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400430
PNG
(CHEMBL2177811)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2cc(OCc3ccc(cc3)-c3ccccc3)ccc12
Show InChI InChI=1S/C26H22O5/c1-17-22-12-11-21(15-24(22)31-26(29)23(17)13-14-25(27)28)30-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,27,28)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400434
PNG
(CHEMBL2177807)
Show SMILES Cc1c(OCc2ccccc2-c2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C27H24O5/c1-17-21-12-14-24(18(2)26(21)32-27(30)22(17)13-15-25(28)29)31-16-20-10-6-7-11-23(20)19-8-4-3-5-9-19/h3-12,14H,13,15-16H2,1-2H3,(H,28,29)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400432
PNG
(CHEMBL2177809)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2cc(OCc3cccc(c3)-c3ccccc3)ccc12
Show InChI InChI=1S/C26H22O5/c1-17-22-11-10-21(15-24(22)31-26(29)23(17)12-13-25(27)28)30-16-18-6-5-9-20(14-18)19-7-3-2-4-8-19/h2-11,14-15H,12-13,16H2,1H3,(H,27,28)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50178999
PNG
(2-(4-(4,6-bis(3,4-difluorophenylamino)-1,3,5-triaz...)
Show SMILES OCCN1CCN(CC1)c1nc(Nc2ccc(F)c(F)c2)nc(Nc2ccc(F)c(F)c2)n1
Show InChI InChI=1S/C21H21F4N7O/c22-15-3-1-13(11-17(15)24)26-19-28-20(27-14-2-4-16(23)18(25)12-14)30-21(29-19)32-7-5-31(6-8-32)9-10-33/h1-4,11-12,33H,5-10H2,(H2,26,27,28,29,30)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400433
PNG
(CHEMBL2177808)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2cc(OCc3ccccc3-c3ccccc3)ccc12
Show InChI InChI=1S/C26H22O5/c1-17-21-12-11-20(15-24(21)31-26(29)22(17)13-14-25(27)28)30-16-19-9-5-6-10-23(19)18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,27,28)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50178996
PNG
(CHEMBL203116 | N2,N4-bis(3,4-difluorophenyl)-N6-(2...)
Show SMILES Fc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(F)c(F)c3)n2)cc1F
Show InChI InChI=1S/C21H21F4N7O/c22-15-3-1-13(11-17(15)24)27-20-29-19(26-5-6-32-7-9-33-10-8-32)30-21(31-20)28-14-2-4-16(23)18(25)12-14/h1-4,11-12H,5-10H2,(H3,26,27,28,29,30,31)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50179002
PNG
(CHEMBL202736 | N2,N4-bis(4-chlorophenyl)-N6-(2-mor...)
Show SMILES Clc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H23Cl2N7O/c22-15-1-5-17(6-2-15)25-20-27-19(24-9-10-30-11-13-31-14-12-30)28-21(29-20)26-18-7-3-16(23)4-8-18/h1-8H,9-14H2,(H3,24,25,26,27,28,29)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400417
PNG
(CHEMBL2178455)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccccc2)ccc2cc(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C26H22O5/c1-17-23(13-11-21-15-22(12-14-24(27)28)26(29)31-25(17)21)30-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-11,13,15H,12,14,16H2,1H3,(H,27,28)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50179005
PNG
(CHEMBL204914 | N2,N4-bis(4-fluorophenyl)-6-(4-meth...)
Show SMILES CN1CCN(CC1)c1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C20H21F2N7/c1-28-10-12-29(13-11-28)20-26-18(23-16-6-2-14(21)3-7-16)25-19(27-20)24-17-8-4-15(22)5-9-17/h2-9H,10-13H2,1H3,(H2,23,24,25,26,27)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50178994
PNG
(2-(4-(4,6-bis(4-fluorophenylamino)-1,3,5-triazin-2...)
Show SMILES OCCN1CCN(CC1)c1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C21H23F2N7O/c22-15-1-5-17(6-2-15)24-19-26-20(25-18-7-3-16(23)4-8-18)28-21(27-19)30-11-9-29(10-12-30)13-14-31/h1-8,31H,9-14H2,(H2,24,25,26,27,28)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50178995
PNG
(CHEMBL381819 | N2,N4,N6-tris(3-chlorophenyl)-1,3,5...)
Show SMILES Clc1cccc(Nc2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)n2)c1
Show InChI InChI=1S/C21H15Cl3N6/c22-13-4-1-7-16(10-13)25-19-28-20(26-17-8-2-5-14(23)11-17)30-21(29-19)27-18-9-3-6-15(24)12-18/h1-12H,(H3,25,26,27,28,29,30)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400439
PNG
(CHEMBL2177802)
Show SMILES Cc1c(OCc2ccc3ccc(Cl)cc3n2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C24H20ClNO5/c1-13-18-7-9-21(14(2)23(18)31-24(29)19(13)8-10-22(27)28)30-12-17-6-4-15-3-5-16(25)11-20(15)26-17/h3-7,9,11H,8,10,12H2,1-2H3,(H,27,28)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50179006
PNG
(CHEMBL202792 | N2-(4-chlorophenyl)-N4-(2-morpholin...)
Show SMILES Clc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H24ClN7O/c22-16-6-8-18(9-7-16)25-21-27-19(23-10-11-29-12-14-30-15-13-29)26-20(28-21)24-17-4-2-1-3-5-17/h1-9H,10-15H2,(H3,23,24,25,26,27,28)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400442
PNG
(CHEMBL2178460)
Show SMILES Cc1c(OCc2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C21H20O5/c1-13-16-8-10-18(25-12-15-6-4-3-5-7-15)14(2)20(16)26-21(24)17(13)9-11-19(22)23/h3-8,10H,9,11-12H2,1-2H3,(H,22,23)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400437
PNG
(CHEMBL2177804)
Show SMILES Cc1c(OCc2nccc3ccccc23)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C24H21NO5/c1-14-17-7-9-21(15(2)23(17)30-24(28)18(14)8-10-22(26)27)29-13-20-19-6-4-3-5-16(19)11-12-25-20/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,26,27)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400444
PNG
(CHEMBL2178458)
Show SMILES Cc1c(OCC=C)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C17H18O5/c1-4-9-21-14-7-5-12-10(2)13(6-8-15(18)19)17(20)22-16(12)11(14)3/h4-5,7H,1,6,8-9H2,2-3H3,(H,18,19)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400443
PNG
(CHEMBL2178459)
Show SMILES Cc1c(OCC#C)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C17H16O5/c1-4-9-21-14-7-5-12-10(2)13(6-8-15(18)19)17(20)22-16(12)11(14)3/h1,5,7H,6,8-9H2,2-3H3,(H,18,19)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400441
PNG
(CHEMBL2177800)
Show SMILES Cc1c(OCc2ccncc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C20H19NO5/c1-12-15-3-5-17(25-11-14-7-9-21-10-8-14)13(2)19(15)26-20(24)16(12)4-6-18(22)23/h3,5,7-10H,4,6,11H2,1-2H3,(H,22,23)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400436
PNG
(CHEMBL2177805)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2cc(OCc3nccc4ccccc34)ccc12
Show InChI InChI=1S/C23H19NO5/c1-14-17-7-6-16(12-21(17)29-23(27)18(14)8-9-22(25)26)28-13-20-19-5-3-2-4-15(19)10-11-24-20/h2-7,10-12H,8-9,13H2,1H3,(H,25,26)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400438
PNG
(CHEMBL2177803)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc12
Show InChI InChI=1S/C23H18ClNO5/c1-13-18-7-6-17(11-21(18)30-23(28)19(13)8-9-22(26)27)29-12-16-5-3-14-2-4-15(24)10-20(14)25-16/h2-7,10-11H,8-9,12H2,1H3,(H,26,27)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400421
PNG
(CHEMBL2178451)
Show SMILES CC(=O)NCCNC(=O)CCc1c(C)c2ccc(OCc3ccc(cc3)-c3ccccc3)c(C)c2oc1=O
Show InChI InChI=1S/C31H32N2O5/c1-20-26-13-15-28(37-19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)21(2)30(26)38-31(36)27(20)14-16-29(35)33-18-17-32-22(3)34/h4-13,15H,14,16-19H2,1-3H3,(H,32,34)(H,33,35)
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Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50179003
PNG
(CHEMBL203487 | N2,N4-bis(4-methoxyphenyl)-N6-(2-mo...)
Show SMILES COc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(OC)cc3)n2)cc1
Show InChI InChI=1S/C23H29N7O3/c1-31-19-7-3-17(4-8-19)25-22-27-21(24-11-12-30-13-15-33-16-14-30)28-23(29-22)26-18-5-9-20(32-2)10-6-18/h3-10H,11-16H2,1-2H3,(H3,24,25,26,27,28,29)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50178997
PNG
(CHEMBL380861 | N2,N4-bis(4-fluorophenyl)-N6-(2-mor...)
Show SMILES Fc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C21H23F2N7O/c22-15-1-5-17(6-2-15)25-20-27-19(24-9-10-30-11-13-31-14-12-30)28-21(29-20)26-18-7-3-16(23)4-8-18/h1-8H,9-14H2,(H3,24,25,26,27,28,29)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Pseudomonas aeruginosa)
BDBM50178993
PNG
(CHEMBL204595 | N-(2-morpholinoethyl)-N',N''-diphen...)
Show SMILES C(CN1CCOCC1)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H25N7O/c1-3-7-17(8-4-1)23-20-25-19(22-11-12-28-13-15-29-16-14-28)26-21(27-20)24-18-9-5-2-6-10-18/h1-10H,11-16H2,(H3,22,23,24,25,26,27)
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Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa DnaB helicase


Bioorg Med Chem Lett 16: 1286-90 (2006)

More data for this
Ligand-Target Pair
Replicative DNA helicase


(Bacillus anthracis)
BDBM50400422
PNG
(CHEMBL2178450)
Show SMILES CNC(=O)CCc1c(C)c2ccc(OCc3ccc(cc3)-c3ccc(Cl)cc3)c(C)c2oc1=O
Show InChI InChI=1S/C28H26ClNO4/c1-17-23-12-14-25(18(2)27(23)34-28(32)24(17)13-15-26(31)30-3)33-16-19-4-6-20(7-5-19)21-8-10-22(29)11-9-21/h4-12,14H,13,15-16H2,1-3H3,(H,30,31)
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PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay


J Med Chem 55: 10896-908 (2012)

More data for this
Ligand-Target Pair