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Compile Data Set for Download or QSAR

Found 180 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase III' AND taxid = 224308   
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 IIIC


(Bacillus subtilis)
BDBM50182669
PNG
((S)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6,8-dif...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@@H]3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)/t21-/m0/s1
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4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182665
PNG
((R)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6,8-dif...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@H]3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)/t21-/m1/s1
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7n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182666
PNG
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-8-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3c(F)cc4c(c3Cl)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C34H38ClFN6O5/c1-3-21-16-22(7-6-20(21)2)37-27-18-28(43)41(34(47)38-27)11-5-4-10-39-12-14-40(15-13-39)31-26(36)17-24-30(29(31)35)42(23-8-9-23)19-25(32(24)44)33(45)46/h6-7,16-19,23,37H,3-5,8-15H2,1-2H3,(H,38,47)(H,45,46)
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10n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182662
PNG
((S)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluor...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@@H]3C)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H41FN6O5/c1-4-23-15-24(8-7-21(23)2)37-31-18-32(43)41(35(47)38-31)12-6-5-11-39-13-14-40(19-22(39)3)30-17-29-26(16-28(30)36)33(44)27(34(45)46)20-42(29)25-9-10-25/h7-8,15-18,20,22,25,37H,4-6,9-14,19H2,1-3H3,(H,38,47)(H,45,46)/t22-/m0/s1
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11n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182667
PNG
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6,8-difluor...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3CO)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H40F2N6O6/c1-3-21-14-22(7-6-20(21)2)38-28-16-29(45)42(35(49)39-28)11-5-4-10-40-12-13-41(17-24(40)19-44)32-27(36)15-25-31(30(32)37)43(23-8-9-23)18-26(33(25)46)34(47)48/h6-7,14-16,18,23-24,38,44H,3-5,8-13,17,19H2,1-2H3,(H,39,49)(H,47,48)
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11n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182674
PNG
((R)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluor...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@H]3C)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H41FN6O5/c1-4-23-15-24(8-7-21(23)2)37-31-18-32(43)41(35(47)38-31)12-6-5-11-39-13-14-40(19-22(39)3)30-17-29-26(16-28(30)36)33(44)27(34(45)46)20-42(29)25-9-10-25/h7-8,15-18,20,22,25,37H,4-6,9-14,19H2,1-3H3,(H,38,47)(H,45,46)/t22-/m1/s1
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12n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182659
PNG
(3-{4-[1-(1-tert-butyl-3-carboxy-4-oxo-6-fluoro-7-q...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C(C)(C)C)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H43FN6O5/c1-6-23-17-24(10-9-22(23)2)37-30-20-31(43)41(34(47)38-30)12-8-7-11-39-13-15-40(16-14-39)29-19-28-25(18-27(29)36)32(44)26(33(45)46)21-42(28)35(3,4)5/h9-10,17-21,37H,6-8,11-16H2,1-5H3,(H,38,47)(H,45,46)
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13n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182663
PNG
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-8-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3c(F)cc4c(c3OC)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H41FN6O6/c1-4-22-17-23(8-7-21(22)2)37-28-19-29(43)41(35(47)38-28)12-6-5-11-39-13-15-40(16-14-39)31-27(36)18-25-30(33(31)48-3)42(24-9-10-24)20-26(32(25)44)34(45)46/h7-8,17-20,24,37H,4-6,9-16H2,1-3H3,(H,38,47)(H,45,46)
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14n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182673
PNG
(3-{4-[1-(1-(4-fluorophenyl)-3-carboxy-4-oxo-6-fluo...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)-c3ccc(F)cc3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C37H38F2N6O5/c1-3-24-18-26(9-6-23(24)2)40-33-21-34(46)44(37(50)41-33)13-5-4-12-42-14-16-43(17-15-42)32-20-31-28(19-30(32)39)35(47)29(36(48)49)22-45(31)27-10-7-25(38)8-11-27/h6-11,18-22,40H,3-5,12-17H2,1-2H3,(H,41,50)(H,48,49)
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17n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182676
PNG
(3-{4-[1-(1-{2,4-difluorophenyl}-3-carboxy-4-oxo-6-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)-c3ccc(F)cc3F)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C37H37F3N6O5/c1-3-23-16-25(8-6-22(23)2)41-33-20-34(47)45(37(51)42-33)11-5-4-10-43-12-14-44(15-13-43)32-19-31-26(18-29(32)40)35(48)27(36(49)50)21-46(31)30-9-7-24(38)17-28(30)39/h6-9,16-21,41H,3-5,10-15H2,1-2H3,(H,42,51)(H,49,50)
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18n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182672
PNG
(1-ethyl-7-(4-(4-(4-(3-ethyl-4-methylphenylamino)-2...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3nc4n(CC)cc(C(O)=O)c(=O)c4cc3F)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C32H38FN7O5/c1-4-21-16-22(9-8-20(21)3)34-26-18-27(41)40(32(45)35-26)11-7-6-10-37-12-14-39(15-13-37)30-25(33)17-23-28(42)24(31(43)44)19-38(5-2)29(23)36-30/h8-9,16-19,34H,4-7,10-15H2,1-3H3,(H,35,45)(H,43,44)
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18n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM21688
PNG
(1-cyclopropyl-7-[4-(4-{4-[(3-ethyl-4-methylphenyl)...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)
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19 -44.8n/an/an/an/an/a7.530



Microbiotix



Assay Description
Reaction velocities were determined at each dGTP concentration and used to create double reciprocal plots of velocity versus dGTP concentration. The ...


Antimicrob Agents Chemother 51: 119-27 (2007)


Article DOI: 10.1128/AAC.01311-05
BindingDB Entry DOI: 10.7270/Q2988599
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM21688
PNG
(1-cyclopropyl-7-[4-(4-{4-[(3-ethyl-4-methylphenyl)...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)
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19n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182671
PNG
(3-{5-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H41FN6O5/c1-3-23-17-24(8-7-22(23)2)37-31-20-32(43)41(35(47)38-31)12-6-4-5-11-39-13-15-40(16-14-39)30-19-29-26(18-28(30)36)33(44)27(34(45)46)21-42(29)25-9-10-25/h7-8,17-21,25,37H,3-6,9-16H2,1-2H3,(H,38,47)(H,45,46)
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19n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50176073
PNG
(3-{4-[Bis-(2-hydroxy-ethyl)-amino]-butyl}-6-(3-eth...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN(CCO)CCO)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C21H32N4O4/c1-3-17-14-18(7-6-16(17)2)22-19-15-20(28)25(21(29)23-19)9-5-4-8-24(10-12-26)11-13-27/h6-7,14-15,22,26-27H,3-5,8-13H2,1-2H3,(H,23,29)
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21n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182670
PNG
(3-{4-[1-(1-ethyl-3-carboxy-4-oxo-6,8-difluoro-7-qu...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3c(F)cc4c(c3F)n(CC)cc(C(O)=O)c4=O)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C33H38F2N6O5/c1-4-21-16-22(9-8-20(21)3)36-26-18-27(42)41(33(46)37-26)11-7-6-10-38-12-14-40(15-13-38)30-25(34)17-23-29(28(30)35)39(5-2)19-24(31(23)43)32(44)45/h8-9,16-19,36H,4-7,10-15H2,1-3H3,(H,37,46)(H,44,45)
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21n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129756
PNG
(3-[4-(4-Benzyl-piperazin-1-yl)-butyl]-6-(3-ethyl-4...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(Cc4ccccc4)CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C28H37N5O2/c1-3-24-19-25(12-11-22(24)2)29-26-20-27(34)33(28(35)30-26)14-8-7-13-31-15-17-32(18-16-31)21-23-9-5-4-6-10-23/h4-6,9-12,19-20,29H,3,7-8,13-18,21H2,1-2H3,(H,30,35)
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22n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182668
PNG
(3-{4-[1-(1-ethyl-3-carboxy-4-oxo-6-fluoro-7-quinol...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(CC)cc(C(O)=O)c(=O)c4cc3F)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C33H39FN6O5/c1-4-22-16-23(9-8-21(22)3)35-29-19-30(41)40(33(45)36-29)11-7-6-10-37-12-14-39(15-13-37)28-18-27-24(17-26(28)34)31(42)25(32(43)44)20-38(27)5-2/h8-9,16-20,35H,4-7,10-15H2,1-3H3,(H,36,45)(H,43,44)
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24n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182675
PNG
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C34H39FN6O5/c1-3-22-16-23(7-6-21(22)2)36-30-19-31(42)40(34(46)37-30)11-5-4-10-38-12-14-39(15-13-38)29-18-28-25(17-27(29)35)32(43)26(33(44)45)20-41(28)24-8-9-24/h6-7,16-20,24,36H,3-5,8-15H2,1-2H3,(H,37,46)(H,44,45)
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24n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129757
PNG
(3-{4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCC(O)(CC3)c3ccc(Cl)cc3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C28H35ClN4O3/c1-3-21-18-24(11-6-20(21)2)30-25-19-26(34)33(27(35)31-25)15-5-4-14-32-16-12-28(36,13-17-32)22-7-9-23(29)10-8-22/h6-11,18-19,30,36H,3-5,12-17H2,1-2H3,(H,31,35)
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25n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182656
PNG
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H41FN6O5/c1-4-23-15-24(8-7-21(23)2)37-31-18-32(43)41(35(47)38-31)12-6-5-11-39-13-14-40(19-22(39)3)30-17-29-26(16-28(30)36)33(44)27(34(45)46)20-42(29)25-9-10-25/h7-8,15-18,20,22,25,37H,4-6,9-14,19H2,1-3H3,(H,38,47)(H,45,46)
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26n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129760
PNG
((4-{4-[4-(3-Ethyl-4-methyl-phenylamino)-2,6-dioxo-...)
Show SMILES CCOC(=O)CC1CN(CCCCn2c(=O)cc(Nc3ccc(C)c(CC)c3)[nH]c2=O)CCO1
Show InChI InChI=1S/C25H36N4O5/c1-4-19-14-20(9-8-18(19)3)26-22-16-23(30)29(25(32)27-22)11-7-6-10-28-12-13-34-21(17-28)15-24(31)33-5-2/h8-9,14,16,21,26H,4-7,10-13,15,17H2,1-3H3,(H,27,32)
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26n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50176104
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-(8-hydroxy-octy...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCCCCO)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C21H31N3O3/c1-3-17-14-18(11-10-16(17)2)22-19-15-20(26)24(21(27)23-19)12-8-6-4-5-7-9-13-25/h10-11,14-15,22,25H,3-9,12-13H2,1-2H3,(H,23,27)
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26n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129774
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-(4-piperidin-1-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCCCC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C22H32N4O2/c1-3-18-15-19(10-9-17(18)2)23-20-16-21(27)26(22(28)24-20)14-8-7-13-25-11-5-4-6-12-25/h9-10,15-16,23H,3-8,11-14H2,1-2H3,(H,24,28)
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28n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50176095
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-[4-(2-hydroxy-e...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCNCCO)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C19H28N4O3/c1-3-15-12-16(7-6-14(15)2)21-17-13-18(25)23(19(26)22-17)10-5-4-8-20-9-11-24/h6-7,12-13,20-21,24H,3-5,8-11H2,1-2H3,(H,22,26)
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28n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129778
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-(4-piperazin-1-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCNCC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C21H31N5O2/c1-3-17-14-18(7-6-16(17)2)23-19-15-20(27)26(21(28)24-19)11-5-4-10-25-12-8-22-9-13-25/h6-7,14-15,22-23H,3-5,8-13H2,1-2H3,(H,24,28)
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30n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Bacillus subtilis)
BDBM50160350
PNG
(Acetic acid (R)-5-[2-(3,4-dichloro-benzylamino)-6-...)
Show SMILES C[C@H](CCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12)OC(C)=O
Show InChI InChI=1S/C20H23Cl2N5O3/c1-12(30-13(2)28)5-3-4-8-27-11-24-18-17(27)19(29)26-20(25-18)23-10-14-6-7-15(21)16(22)9-14/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H2,23,25,26,29)/t12-/m1/s1
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31n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Bacillus subtilis; (a)


Bioorg Med Chem Lett 15: 729-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.016
BindingDB Entry DOI: 10.7270/Q2125S58
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129762
PNG
(3-{4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydr...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCC(O)(CC3)c3ccc(Cl)c(c3)C(F)(F)F)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C29H34ClF3N4O3/c1-3-20-16-22(8-6-19(20)2)34-25-18-26(38)37(27(39)35-25)13-5-4-12-36-14-10-28(40,11-15-36)21-7-9-24(30)23(17-21)29(31,32)33/h6-9,16-18,34,40H,3-5,10-15H2,1-2H3,(H,35,39)
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32n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182657
PNG
(3-{5-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCN3CC4OCCN(C4C3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C37H43FN6O6/c1-3-23-15-24(8-7-22(23)2)39-33-18-34(45)43(37(49)40-33)12-6-4-5-11-41-20-31-32(21-41)50-14-13-42(31)30-17-29-26(16-28(30)38)35(46)27(36(47)48)19-44(29)25-9-10-25/h7-8,15-19,25,31-32,39H,3-6,9-14,20-21H2,1-2H3,(H,40,49)(H,47,48)
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33n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Bacillus subtilis)
BDBM50160340
PNG
(2-(3,4-Dichloro-benzylamino)-7-((R)-5-hydroxy-hexy...)
Show SMILES C[C@@H](O)CCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C18H21Cl2N5O2/c1-11(26)4-2-3-7-25-10-22-16-15(25)17(27)24-18(23-16)21-9-12-5-6-13(19)14(20)8-12/h5-6,8,10-11,26H,2-4,7,9H2,1H3,(H2,21,23,24,27)/t11-/m1/s1
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35n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Bacillus subtilis; (a)


Bioorg Med Chem Lett 15: 729-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.016
BindingDB Entry DOI: 10.7270/Q2125S58
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50176101
PNG
(2-Chloro-N-{4-[4-(3-ethyl-4-methyl-phenylamino)-2,...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCNC(=O)CCl)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C19H25ClN4O3/c1-3-14-10-15(7-6-13(14)2)22-16-11-18(26)24(19(27)23-16)9-5-4-8-21-17(25)12-20/h6-7,10-11,22H,3-5,8-9,12H2,1-2H3,(H,21,25)(H,23,27)
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35n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182664
PNG
(3-{5-[1-(1-ethyl-3-carboxy-4-oxo-6-fluoro-7-quinol...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCN3CC4CCCN(C4C3)c3cc4n(CC)cc(C(O)=O)c(=O)c4cc3F)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C37H45FN6O5/c1-4-24-16-26(12-11-23(24)3)39-33-19-34(45)44(37(49)40-33)14-8-6-7-13-41-20-25-10-9-15-43(32(25)22-41)31-18-30-27(17-29(31)38)35(46)28(36(47)48)21-42(30)5-2/h11-12,16-19,21,25,32,39H,4-10,13-15,20,22H2,1-3H3,(H,40,49)(H,47,48)
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37n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129775
PNG
(6-(3-Chloromethyl-4-methyl-phenylamino)-3-(4-metho...)
Show SMILES COCCCCn1c(=O)cc(Nc2ccc(C)c(CCl)c2)[nH]c1=O
Show InChI InChI=1S/C17H22ClN3O3/c1-12-5-6-14(9-13(12)11-18)19-15-10-16(22)21(17(23)20-15)7-3-4-8-24-2/h5-6,9-10,19H,3-4,7-8,11H2,1-2H3,(H,20,23)
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40n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50182658
PNG
(3-{5-[1-(1-cyclopropyl-3-carboxy-6-fluoro-4-oxo-7-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCN3CC4CCCN(C4C3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C38H45FN6O5/c1-3-24-16-26(10-9-23(24)2)40-34-19-35(46)44(38(50)41-34)14-6-4-5-13-42-20-25-8-7-15-43(33(25)22-42)32-18-31-28(17-30(32)39)36(47)29(37(48)49)21-45(31)27-11-12-27/h9-10,16-19,21,25,27,33,40H,3-8,11-15,20,22H2,1-2H3,(H,41,50)(H,48,49)
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41n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus subtilis DNA polymerase3C


J Med Chem 49: 1455-65 (2006)


Article DOI: 10.1021/jm0510023
BindingDB Entry DOI: 10.7270/Q23J3DR1
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129769
PNG
(6-(3-Chloro-4-methyl-phenylamino)-3-(4-methoxy-but...)
Show SMILES COCCCCn1c(=O)cc(Nc2ccc(C)c(Cl)c2)[nH]c1=O
Show InChI InChI=1S/C16H20ClN3O3/c1-11-5-6-12(9-13(11)17)18-14-10-15(21)20(16(22)19-14)7-3-4-8-23-2/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,22)
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42n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50176088
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-(5-hydroxy-pent...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCO)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C18H25N3O3/c1-3-14-11-15(8-7-13(14)2)19-16-12-17(23)21(18(24)20-16)9-5-4-6-10-22/h7-8,11-12,19,22H,3-6,9-10H2,1-2H3,(H,20,24)
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43n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129755
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-[4-(4-pyrimidin...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3ncccn3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C25H33N7O2/c1-3-20-17-21(8-7-19(20)2)28-22-18-23(33)32(25(34)29-22)12-5-4-11-30-13-15-31(16-14-30)24-26-9-6-10-27-24/h6-10,17-18,28H,3-5,11-16H2,1-2H3,(H,29,34)
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43n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129781
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-{4-[4-(furan-2-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)C(=O)c3ccco3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C26H33N5O4/c1-3-20-17-21(9-8-19(20)2)27-23-18-24(32)31(26(34)28-23)11-5-4-10-29-12-14-30(15-13-29)25(33)22-7-6-16-35-22/h6-9,16-18,27H,3-5,10-15H2,1-2H3,(H,28,34)
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43n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129751
PNG
(3-[4-(2-Ethoxy-morpholin-4-yl)-butyl]-6-(3-ethyl-4...)
Show SMILES CCOC1CN(CCCCn2c(=O)cc(Nc3ccc(C)c(CC)c3)[nH]c2=O)CCO1
Show InChI InChI=1S/C23H34N4O4/c1-4-18-14-19(9-8-17(18)3)24-20-15-21(28)27(23(29)25-20)11-7-6-10-26-12-13-31-22(16-26)30-5-2/h8-9,14-15,22,24H,4-7,10-13,16H2,1-3H3,(H,25,29)
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43n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50176080
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-[2-(2-methoxy-e...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCOCCOC)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C18H25N3O4/c1-4-14-11-15(6-5-13(14)2)19-16-12-17(22)21(18(23)20-16)7-8-25-10-9-24-3/h5-6,11-12,19H,4,7-10H2,1-3H3,(H,20,23)
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45n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Bacillus subtilis)
BDBM50160338
PNG
(4-[2-(3,4-Dichloro-benzylamino)-6-oxo-1,6-dihydro-...)
Show SMILES CCOC(=O)CCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C18H19Cl2N5O3/c1-2-28-14(26)4-3-7-25-10-22-16-15(25)17(27)24-18(23-16)21-9-11-5-6-12(19)13(20)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H2,21,23,24,27)
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47n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Bacillus subtilis; (a)


Bioorg Med Chem Lett 15: 729-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.016
BindingDB Entry DOI: 10.7270/Q2125S58
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Bacillus subtilis)
BDBM50160342
PNG
(2-(3,4-Dichloro-benzylamino)-7-(4-morpholin-4-yl-b...)
Show SMILES Clc1ccc(CNc2nc3ncn(CCCCN4CCOCC4)c3c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C20H24Cl2N6O2/c21-15-4-3-14(11-16(15)22)12-23-20-25-18-17(19(29)26-20)28(13-24-18)6-2-1-5-27-7-9-30-10-8-27/h3-4,11,13H,1-2,5-10,12H2,(H2,23,25,26,29)
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47n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Bacillus subtilis; (a)


Bioorg Med Chem Lett 15: 729-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.016
BindingDB Entry DOI: 10.7270/Q2125S58
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129766
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-(4-morpholin-4-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCOCC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C21H30N4O3/c1-3-17-14-18(7-6-16(17)2)22-19-15-20(26)25(21(27)23-19)9-5-4-8-24-10-12-28-13-11-24/h6-7,14-15,22H,3-5,8-13H2,1-2H3,(H,23,27)
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48n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129766
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-(4-morpholin-4-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCOCC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C21H30N4O3/c1-3-17-14-18(7-6-16(17)2)22-19-15-20(26)25(21(27)23-19)9-5-4-8-24-10-12-28-13-11-24/h6-7,14-15,22H,3-5,8-13H2,1-2H3,(H,23,27)
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48n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined


J Med Chem 46: 2731-9 (2003)


Article DOI: 10.1021/jm020591z
BindingDB Entry DOI: 10.7270/Q2057GPR
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50176112
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-(6-hydroxy-hexy...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCCO)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C19H27N3O3/c1-3-15-12-16(9-8-14(15)2)20-17-13-18(24)22(19(25)21-17)10-6-4-5-7-11-23/h8-9,12-13,20,23H,3-7,10-11H2,1-2H3,(H,21,25)
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49n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50176084
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-(10-hydroxy-dec...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCCCCCCO)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C23H35N3O3/c1-3-19-16-20(13-12-18(19)2)24-21-17-22(28)26(23(29)25-21)14-10-8-6-4-5-7-9-11-15-27/h12-13,16-17,24,27H,3-11,14-15H2,1-2H3,(H,25,29)
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51n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50176086
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-((E)-4-hydroxy-...)
Show SMILES CCc1cc(Nc2cc(=O)n(C\C=C\CO)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C17H21N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h4-7,10-11,18,21H,3,8-9H2,1-2H3,(H,19,23)/b5-4+
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51n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50160342
PNG
(2-(3,4-Dichloro-benzylamino)-7-(4-morpholin-4-yl-b...)
Show SMILES Clc1ccc(CNc2nc3ncn(CCCCN4CCOCC4)c3c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C20H24Cl2N6O2/c21-15-4-3-14(11-16(15)22)12-23-20-25-18-17(19(29)26-20)28(13-24-18)6-2-1-5-27-7-9-30-10-8-27/h3-4,11,13H,1-2,5-10,12H2,(H2,23,25,26,29)
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51n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIC produced by Bacillus subtilis; (a)


Bioorg Med Chem Lett 15: 729-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.016
BindingDB Entry DOI: 10.7270/Q2125S58
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50129766
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-3-(4-morpholin-4-...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCOCC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C21H30N4O3/c1-3-17-14-18(7-6-16(17)2)22-19-15-20(26)25(21(27)23-19)9-5-4-8-24-10-12-28-13-11-24/h6-7,14-15,22H,3-5,8-13H2,1-2H3,(H,23,27)
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52n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)


J Med Chem 48: 7063-74 (2005)


Article DOI: 10.1021/jm050517r
BindingDB Entry DOI: 10.7270/Q2W66MJN
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50160340
PNG
(2-(3,4-Dichloro-benzylamino)-7-((R)-5-hydroxy-hexy...)
Show SMILES C[C@@H](O)CCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C18H21Cl2N5O2/c1-11(26)4-2-3-7-25-10-22-16-15(25)17(27)24-18(23-16)21-9-12-5-6-13(19)14(20)8-12/h5-6,8,10-11,26H,2-4,7,9H2,1H3,(H2,21,23,24,27)/t11-/m1/s1
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52n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIC produced by Bacillus subtilis; (a)


Bioorg Med Chem Lett 15: 729-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.016
BindingDB Entry DOI: 10.7270/Q2125S58
More data for this
Ligand-Target Pair
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