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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'belley' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177653
PNG
(5-allyl-6-chloro-2-(2,3-dihydro-1H-inden-5-ylamino...)
Show SMILES Clc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CC=C
Show InChI InChI=1S/C16H16ClN3O/c1-2-4-13-14(17)19-16(20-15(13)21)18-12-8-7-10-5-3-6-11(10)9-12/h2,7-9H,1,3-6H2,(H2,18,19,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177648
PNG
(2-(2,3-dihydro-1H-inden-5-ylamino)-6-hydroxy-5-(3-...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CCCOc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O5/c27-20-19(5-2-12-31-18-10-8-17(9-11-18)26(29)30)21(28)25-22(24-20)23-16-7-6-14-3-1-4-15(14)13-16/h6-11,13H,1-5,12H2,(H3,23,24,25,27,28)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177644
PNG
(2-(2,3-dihydro-1H-inden-5-ylamino)-6-hydroxy-5-(3-...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CCCc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c26-20-19(11-4-8-15-6-2-1-3-7-15)21(27)25-22(24-20)23-18-13-12-16-9-5-10-17(16)14-18/h1-3,6-7,12-14H,4-5,8-11H2,(H3,23,24,25,26,27)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177654
PNG
(4-(3-(2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy...)
Show SMILES COc1cc(ccc1OCCCc1c(O)nc(Nc2ccc3CCCc3c2)[nH]c1=O)C#N
Show InChI InChI=1S/C24H24N4O4/c1-31-21-12-15(14-25)7-10-20(21)32-11-3-6-19-22(29)27-24(28-23(19)30)26-18-9-8-16-4-2-5-17(16)13-18/h7-10,12-13H,2-6,11H2,1H3,(H3,26,27,28,29,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177645
PNG
(2-(2,3-dihydro-1H-inden-5-ylamino)-6-hydroxy-5-(3-...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CCCOc1ccccc1
Show InChI InChI=1S/C22H23N3O3/c26-20-19(10-5-13-28-18-8-2-1-3-9-18)21(27)25-22(24-20)23-17-12-11-15-6-4-7-16(15)14-17/h1-3,8-9,11-12,14H,4-7,10,13H2,(H3,23,24,25,26,27)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177651
PNG
(5-benzyl-2-(3-ethyl-4-methylphenylamino)-6-hydroxy...)
Show SMILES CCc1cc(Nc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C20H21N3O2/c1-3-15-12-16(10-9-13(15)2)21-20-22-18(24)17(19(25)23-20)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H3,21,22,23,24,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
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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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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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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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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177657
PNG
(2-(2,3-dihydro-1H-inden-5-ylamino)-6-hydroxy-5-(3-...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CCCOc1ccc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C21H21N5O5/c27-19-17(5-2-10-31-18-9-8-16(12-22-18)26(29)30)20(28)25-21(24-19)23-15-7-6-13-3-1-4-14(13)11-15/h6-9,11-12H,1-5,10H2,(H3,23,24,25,27,28)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177647
PNG
(4-(3-(2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CCCOc1ccc(cc1)C#N
Show InChI InChI=1S/C23H22N4O3/c24-14-15-6-10-19(11-7-15)30-12-2-5-20-21(28)26-23(27-22(20)29)25-18-9-8-16-3-1-4-17(16)13-18/h6-11,13H,1-5,12H2,(H3,25,26,27,28,29)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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)
KEGG

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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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177665
PNG
(5-allyl-2-(3-ethyl-4-methylphenylamino)-6-hydroxyp...)
Show SMILES CCc1cc(Nc2nc(O)c(CC=C)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C16H19N3O2/c1-4-6-13-14(20)18-16(19-15(13)21)17-12-8-7-10(3)11(5-2)9-12/h4,7-9H,1,5-6H2,2-3H3,(H3,17,18,19,20,21)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177656
PNG
(5-(3-(4-aminophenoxy)propyl)-2-(2,3-dihydro-1H-ind...)
Show SMILES Nc1ccc(OCCCc2c(O)nc(Nc3ccc4CCCc4c3)[nH]c2=O)cc1
Show InChI InChI=1S/C22H24N4O3/c23-16-7-10-18(11-8-16)29-12-2-5-19-20(27)25-22(26-21(19)28)24-17-9-6-14-3-1-4-15(14)13-17/h6-11,13H,1-5,12,23H2,(H3,24,25,26,27,28)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177660
PNG
(2-(2,3-dihydro-1H-inden-5-ylamino)-6-hydroxy-5-(3-...)
Show SMILES COc1ccc(OCCCc2c(O)nc(Nc3ccc4CCCc4c3)[nH]c2=O)cc1
Show InChI InChI=1S/C23H25N3O4/c1-29-18-9-11-19(12-10-18)30-13-3-6-20-21(27)25-23(26-22(20)28)24-17-8-7-15-4-2-5-16(15)14-17/h7-12,14H,2-6,13H2,1H3,(H3,24,25,26,27,28)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177652
PNG
(2-(2,3-dihydro-1H-inden-5-ylamino)-6-hydroxy-5-(4-...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CCCCOc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c27-21-20(11-4-5-14-29-19-9-2-1-3-10-19)22(28)26-23(25-21)24-18-13-12-16-7-6-8-17(16)15-18/h1-3,9-10,12-13,15H,4-8,11,14H2,(H3,24,25,26,27,28)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177646
PNG
(5-(but-3-enyl)-2-(2,3-dihydro-1H-inden-5-ylamino)-...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CCC=C
Show InChI InChI=1S/C17H19N3O2/c1-2-3-7-14-15(21)19-17(20-16(14)22)18-13-9-8-11-5-4-6-12(11)10-13/h2,8-10H,1,3-7H2,(H3,18,19,20,21,22)
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n/an/a 1.79E+4n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177663
PNG
(2-(2,3-dihydro-1H-inden-5-ylamino)-6-hydroxy-5-phe...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CCc1ccccc1
Show InChI InChI=1S/C21H21N3O2/c25-19-18(12-9-14-5-2-1-3-6-14)20(26)24-21(23-19)22-17-11-10-15-7-4-8-16(15)13-17/h1-3,5-6,10-11,13H,4,7-9,12H2,(H3,22,23,24,25,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
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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n/an/a 1.80E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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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n/an/a 1.90E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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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n/an/a 2.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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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n/an/a 2.20E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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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n/an/a 2.30E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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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n/an/a 3.10E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177659
PNG
(5-allyl-2-(2,3-dihydro-1H-inden-5-ylamino)-6-hydro...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1CC=C
Show InChI InChI=1S/C16H17N3O2/c1-2-4-13-14(20)18-16(19-15(13)21)17-12-8-7-10-5-3-6-11(10)9-12/h2,7-9H,1,3-6H2,(H3,17,18,19,20,21)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177655
PNG
(5-benzyl-2-(2,3-dihydro-1H-inden-5-ylamino)-6-hydr...)
Show SMILES Oc1nc(Nc2ccc3CCCc3c2)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H19N3O2/c24-18-17(11-13-5-2-1-3-6-13)19(25)23-20(22-18)21-16-10-9-14-7-4-8-15(14)12-16/h1-3,5-6,9-10,12H,4,7-8,11H2,(H3,21,22,23,24,25)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
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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n/an/a 6.50E+4n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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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n/an/a>1.00E+5n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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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n/an/a>1.00E+5n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
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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n/an/a>1.00E+5n/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)


Article DOI: 10.1016/j.bmcl.2005.11.076
BindingDB Entry DOI: 10.7270/Q2PG1R95
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177658
PNG
(6-amino-2-(3-ethyl-4-methylphenylamino)pyrimidin-4...)
Show SMILES CCc1cc(Nc2nc(N)cc(=O)[nH]2)ccc1C
Show InChI InChI=1S/C13H16N4O/c1-3-9-6-10(5-4-8(9)2)15-13-16-11(14)7-12(18)17-13/h4-7H,3H2,1-2H3,(H4,14,15,16,17,18)
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n/an/a 1.04E+5n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair
DNA polymerase III PolC-type


(Staphylococcus aureus)
BDBM50177649
PNG
(5-allyl-6-amino-2-(3-ethyl-4-methylphenylamino)pyr...)
Show SMILES CCc1cc(Nc2nc(N)c(CC=C)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C16H20N4O/c1-4-6-13-14(17)19-16(20-15(13)21)18-12-8-7-10(3)11(5-2)9-12/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20,21)
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n/an/a 1.64E+5n/an/an/an/an/an/a



Targanta Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase3C from Staphylococcus aureus


Bioorg Med Chem Lett 16: 891-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.009
BindingDB Entry DOI: 10.7270/Q2125S75
More data for this
Ligand-Target Pair