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Compile Data Set for Download or QSAR

Found 18 hits of ic50 for UniProtKB: P0C1P9   
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 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
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
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
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
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