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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'holm' and Initial = 'ka'   
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


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(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 III PolC-type


(Bacillus subtilis)
BDBM21686
PNG
(3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C17H23N3O3/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/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)
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66n/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 III PolC-type


(Bacillus subtilis)
BDBM50182660
PNG
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...)
Show SMILES Cc1ccc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)cc1C
Show InChI InChI=1S/C33H37FN6O5/c1-20-5-6-22(15-21(20)2)35-29-18-30(41)39(33(45)36-29)10-4-3-9-37-11-13-38(14-12-37)28-17-27-24(16-26(28)34)31(42)25(32(43)44)19-40(27)23-7-8-23/h5-6,15-19,23,35H,3-4,7-14H2,1-2H3,(H,36,45)(H,43,44)
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95n/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 III PolC-type


(Bacillus subtilis)
BDBM50182661
PNG
(3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(CCCCn4c(=O)cc(Nc5ccccc5)[nH]c4=O)CC3)c(F)cc2c1=O
Show InChI InChI=1S/C31H33FN6O5/c32-24-16-22-25(38(21-8-9-21)19-23(29(22)40)30(41)42)17-26(24)36-14-12-35(13-15-36)10-4-5-11-37-28(39)18-27(34-31(37)43)33-20-6-2-1-3-7-20/h1-3,6-7,16-19,21,33H,4-5,8-15H2,(H,34,43)(H,41,42)
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2.90E+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