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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase I' AND taxid = 83333   
Target
(Institution)
LigandTarget
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 subunit gamma


(Escherichia coli)
BDBM36322
PNG
(5-phenyl-indolyl- 2'-deoxyriboside triphosphat...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C19H22NO12P3/c21-17-11-19(30-18(17)12-29-34(25,26)32-35(27,28)31-33(22,23)24)20-9-8-15-10-14(6-7-16(15)20)13-4-2-1-3-5-13/h1-10,17-19,21H,11-12H2,(H,25,26)(H,27,28)(H2,22,23,24)/t17-,18+,19+/m0/s1
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Article
7.50E+3 -30.4n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36324
PNG
(6-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-1-2-9(15(17)18)5-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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Article
8.10E+3 -30.2n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36316
PNG
(5-ethyl-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES CCc1ccc2n(ccc2c1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C15H22NO12P3/c1-2-10-3-4-12-11(7-10)5-6-16(12)15-8-13(17)14(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-7,13-15,17H,2,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t13-,14+,15+/m0/s1
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9.00E+3 -30.0n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096606
PNG
(CHEMBL3577279)
Show SMILES OC(=O)CNC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1/C17H17BrN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/s2
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1.10E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36323
PNG
(4-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-5-4-8-9(14)2-1-3-10(8)15(17)18)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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Article
1.11E+4 -29.4n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36321
PNG
(5-cyclohexene-indolyl- 2'-deoxyriboside tripho...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C1=CCCCC1
Show InChI InChI=1S/C19H26NO12P3/c21-17-11-19(30-18(17)12-29-34(25,26)32-35(27,28)31-33(22,23)24)20-9-8-15-10-14(6-7-16(15)20)13-4-2-1-3-5-13/h4,6-10,17-19,21H,1-3,5,11-12H2,(H,25,26)(H,27,28)(H2,22,23,24)/t17-,18+,19+/m0/s1
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Article
1.18E+4 -29.3n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36312
PNG
(ATP{gamma}S | adenosine 5'-O-(3-thiotriphospha...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4?,6-,7-,10?/m1/s1
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Article
1.30E+4 -29.0n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160344
PNG
(Acetic acid 5-[2-(3,4-dichloro-benzylamino)-6-oxo-...)
Show SMILES CC(=O)OCCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C19H21Cl2N5O3/c1-12(27)29-8-4-2-3-7-26-11-23-17-16(26)18(28)25-19(24-17)22-10-13-5-6-14(20)15(21)9-13/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,22,24,25,28)
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1.38E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096604
PNG
(CHEMBL3577290)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/s2
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1.50E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase IIIE


(Escherichia coli)
BDBM50160347
PNG
(4-[2-(3,4-Dichloro-benzylamino)-6-oxo-1,6-dihydro-...)
Show SMILES OC(=O)CCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C16H15Cl2N5O3/c17-10-4-3-9(6-11(10)18)7-19-16-21-14-13(15(26)22-16)23(8-20-14)5-1-2-12(24)25/h3-4,6,8H,1-2,5,7H2,(H,24,25)(H2,19,21,22,26)
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1.53E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
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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1.69E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096605
PNG
(CHEMBL3577289)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19-/s2
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1.70E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase IIIE


(Escherichia coli)
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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2.03E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36319
PNG
(5-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-5-9(15(17)18)1-2-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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2.17E+4 -27.7n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36320
PNG
(5-cyclohexyl-indolyl- 2'-deoxyriboside triphos...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C1CCCCC1
Show InChI InChI=1S/C19H28NO12P3/c21-17-11-19(30-18(17)12-29-34(25,26)32-35(27,28)31-33(22,23)24)20-9-8-15-10-14(6-7-16(15)20)13-4-2-1-3-5-13/h6-10,13,17-19,21H,1-5,11-12H2,(H,25,26)(H,27,28)(H2,22,23,24)/t17-,18+,19+/m0/s1
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2.40E+4 -27.4n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
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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2.60E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160345
PNG
(2-(3,4-Dichloro-benzylamino)-7-(5-hydroxy-pentyl)-...)
Show SMILES OCCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C17H19Cl2N5O2/c18-12-5-4-11(8-13(12)19)9-20-17-22-15-14(16(26)23-17)24(10-21-15)6-2-1-3-7-25/h4-5,8,10,25H,1-3,6-7,9H2,(H2,20,22,23,26)
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2.70E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096608
PNG
(CHEMBL3577288)
Show SMILES CC(C)C[C@H](NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O)C(O)=O
Show InChI InChI=1/C21H25BrN2O5/c1-11(2)7-16(21(28)29)23-19(25)10-24-17-6-4-13(22)9-15(17)14-5-3-12(20(26)27)8-18(14)24/h4,6,9,11-12,16H,3,5,7-8,10H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)/t12-,16+/s2
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2.70E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36317
PNG
(5-ethylene-indolyl- 2'-deoxyriboside triphosph...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(C=C)ccc12
Show InChI InChI=1S/C15H20NO12P3/c1-2-10-3-4-12-11(7-10)5-6-16(12)15-8-13(17)14(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-7,13-15,17H,1,8-9H2,(H,21,22)(H,23,24)(H2,18,19,20)/t13-,14+,15+/m0/s1
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3.00E+4 -26.9n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160343
PNG
(Acetic acid 4-[2-(3,4-dichloro-benzylamino)-6-oxo-...)
Show SMILES CC(=O)OCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C18H19Cl2N5O3/c1-11(26)28-7-3-2-6-25-10-22-16-15(25)17(27)24-18(23-16)21-9-12-4-5-13(19)14(20)8-12/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,21,23,24,27)
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3.30E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36315
PNG
(5-fluoro-indolyl- 2'-deoxyriboside triphosphat...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(F)ccc12
Show InChI InChI=1S/C13H17FNO12P3/c14-9-1-2-10-8(5-9)3-4-15(10)13-6-11(16)12(25-13)7-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-5,11-13,16H,6-7H2,(H,20,21)(H,22,23)(H2,17,18,19)/t11-,12+,13+/m0/s1
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3.40E+4 -26.5n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096611
PNG
(CHEMBL3577285)
Show SMILES NC(=O)c1ccc(CNC(=O)Cn2c3C[C@@H](CCc3c3cc(Br)ccc23)C(O)=O)cc1
Show InChI InChI=1/C23H22BrN3O4/c24-16-6-8-19-18(10-16)17-7-5-15(23(30)31)9-20(17)27(19)12-21(28)26-11-13-1-3-14(4-2-13)22(25)29/h1-4,6,8,10,15H,5,7,9,11-12H2,(H2,25,29)(H,26,28)(H,30,31)/t15-/s2
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3.60E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160360
PNG
(2-(3,4-Dichloro-benzylamino)-7-(5-methanesulfinyl-...)
Show SMILES CS(=O)CCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C18H21Cl2N5O2S/c1-28(27)8-4-2-3-7-25-11-22-16-15(25)17(26)24-18(23-16)21-10-12-5-6-13(19)14(20)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,21,23,24,26)
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3.60E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36318
PNG
(5-carboxylate-indolyl- 2'-deoxyriboside tripho...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C14H18NO14P3/c16-11-6-13(15-4-3-8-5-9(14(17)18)1-2-10(8)15)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,17,18)(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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4.00E+4 -26.1n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
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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4.10E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160355
PNG
(CHEMBL181398 | Isobutyric acid 5-[2-(3,4-dichloro-...)
Show SMILES CC(C)C(=O)OCCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C21H25Cl2N5O3/c1-13(2)20(30)31-9-5-3-4-8-28-12-25-18-17(28)19(29)27-21(26-18)24-11-14-6-7-15(22)16(23)10-14/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H2,24,26,27,29)
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4.50E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36314
PNG
(5-amino-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES Nc1ccc2n(ccc2c1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C13H19N2O12P3/c14-9-1-2-10-8(5-9)3-4-15(10)13-6-11(16)12(25-13)7-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-5,11-13,16H,6-7,14H2,(H,20,21)(H,22,23)(H2,17,18,19)/t11-,12+,13+/m0/s1
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4.50E+4 -25.8n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160346
PNG
(2-(3,4-Dichloro-benzylamino)-7-[2-(2-hydroxy-ethox...)
Show SMILES OCCOCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C16H17Cl2N5O3/c17-11-2-1-10(7-12(11)18)8-19-16-21-14-13(15(25)22-16)23(9-20-14)3-5-26-6-4-24/h1-2,7,9,24H,3-6,8H2,(H2,19,21,22,25)
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4.50E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160356
PNG
(2-(3,4-Dichloro-benzylamino)-7-(5-methoxy-pentyl)-...)
Show SMILES COCCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C18H21Cl2N5O2/c1-27-8-4-2-3-7-25-11-22-16-15(25)17(26)24-18(23-16)21-10-12-5-6-13(19)14(20)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,21,23,24,26)
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4.70E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096607
PNG
(CHEMBL3577278)
Show SMILES OC(=O)CNC(=O)Cn1c2C[C@@H](CCc2c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C17H17ClN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/s2
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4.70E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160353
PNG
(2-(3,4-Dichloro-benzylamino)-7-(5-methanesulfonyl-...)
Show SMILES CS(=O)(=O)CCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C18H21Cl2N5O3S/c1-29(27,28)8-4-2-3-7-25-11-22-16-15(25)17(26)24-18(23-16)21-10-12-5-6-13(19)14(20)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,21,23,24,26)
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5.10E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160341
PNG
(2-(3,4-Dichloro-benzylamino)-7-(2-ethoxy-ethyl)-1,...)
Show SMILES CCOCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C16H17Cl2N5O2/c1-2-25-6-5-23-9-20-14-13(23)15(24)22-16(21-14)19-8-10-3-4-11(17)12(18)7-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,19,21,22,24)
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5.60E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit gamma


(Escherichia coli)
BDBM36313
PNG
(dITP | indolyl- 2'-deoxyriboside triphosphate)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccccc12
Show InChI InChI=1S/C13H18NO12P3/c15-11-7-13(14-6-5-9-3-1-2-4-10(9)14)24-12(11)8-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-6,11-13,15H,7-8H2,(H,19,20)(H,21,22)(H2,16,17,18)/t11-,12+,13+/m0/s1
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6.09E+4 -25.0n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096609
PNG
(CHEMBL3577287)
Show SMILES CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O)C(O)=O
Show InChI InChI=1/C26H34BrN3O7/c1-26(2,3)37-25(36)28-11-5-4-6-19(24(34)35)29-22(31)14-30-20-10-8-16(27)13-18(20)17-9-7-15(23(32)33)12-21(17)30/h8,10,13,15,19H,4-7,9,11-12,14H2,1-3H3,(H,28,36)(H,29,31)(H,32,33)(H,34,35)/t15-,19-/s2
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6.40E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096638
PNG
(CHEMBL3577268)
Show SMILES OC(=O)[C@@H]1CCc2c(C1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1/C13H12ClNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/s2
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7.40E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096614
PNG
(CHEMBL3577282)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNC(=O)Cn2c3C[C@@H](CCc3c3cc(Br)ccc23)C(O)=O)CC1
Show InChI InChI=1/C26H34BrN3O5/c1-26(2,3)35-25(34)29-10-8-16(9-11-29)14-28-23(31)15-30-21-7-5-18(27)13-20(21)19-6-4-17(24(32)33)12-22(19)30/h5,7,13,16-17H,4,6,8-12,14-15H2,1-3H3,(H,28,31)(H,32,33)/t17-/s2
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8.30E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160351
PNG
(2-(3,4-Dichloro-benzylamino)-7-(4-hydroxy-butyl)-1...)
Show SMILES OCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C16H17Cl2N5O2/c17-11-4-3-10(7-12(11)18)8-19-16-21-14-13(15(25)22-16)23(9-20-14)5-1-2-6-24/h3-4,7,9,24H,1-2,5-6,8H2,(H2,19,21,22,25)
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8.60E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096634
PNG
(CHEMBL3577272)
Show SMILES OC(=O)[C@@H]1CCc2c(C1)[nH]c1ccc(Br)cc21
Show InChI InChI=1/C13H12BrNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/s2
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8.70E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160354
PNG
(2-(3,4-Dichloro-benzylamino)-1,9-dihydro-purin-6-o...)
Show SMILES Clc1ccc(CNc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C12H9Cl2N5O/c13-7-2-1-6(3-8(7)14)4-15-12-18-10-9(11(20)19-12)16-5-17-10/h1-3,5H,4H2,(H3,15,16,17,18,19,20)
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9.50E+4n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096612
PNG
(CHEMBL3577284)
Show SMILES NC(=O)CNC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1/C17H18BrN3O4/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)21(13)8-16(23)20-7-15(19)22/h2,4,6,9H,1,3,5,7-8H2,(H2,19,22)(H,20,23)(H,24,25)/t9-/s2
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9.50E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096635
PNG
(CHEMBL3577271)
Show SMILES OC(=O)[C@@H]1CCc2c(C1)[nH]c1ccc(I)cc21
Show InChI InChI=1/C13H12INO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/s2
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9.70E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160357
PNG
(4-[2-(3,4-Dichloro-benzylamino)-6-oxo-1,6-dihydro-...)
Show SMILES OC(=O)CCCn1cnc2c1nc(NCc1ccc(Cl)c(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C16H15Cl2N5O3/c17-10-4-3-9(6-11(10)18)7-19-16-21-14-13(15(26)22-16)20-8-23(14)5-1-2-12(24)25/h3-4,6,8H,1-2,5,7H2,(H,24,25)(H2,19,21,22,26)
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1.01E+5n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096613
PNG
(CHEMBL3577283)
Show SMILES OC(=O)[C@@H]1CCc2c(C1)n(CC(=O)NCC1CCNCC1)c1ccc(Br)cc21
Show InChI InChI=1/C21H26BrN3O3/c22-15-2-4-18-17(10-15)16-3-1-14(21(27)28)9-19(16)25(18)12-20(26)24-11-13-5-7-23-8-6-13/h2,4,10,13-14,23H,1,3,5-9,11-12H2,(H,24,26)(H,27,28)/t14-/s2
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1.16E+5n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160352
PNG
(2-(3,4-Dichloro-benzylamino)-7-(5-methylsulfanyl-p...)
Show SMILES CSCCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12
Show InChI InChI=1S/C18H21Cl2N5OS/c1-27-8-4-2-3-7-25-11-22-16-15(25)17(26)24-18(23-16)21-10-12-5-6-13(19)14(20)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,21,23,24,26)
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1.28E+5n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096618
PNG
(CHEMBL3577276)
Show SMILES NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1S/C16H10O7/c1-21-13-5-12-7(3-10(13)19)15-14(16(20)23-12)6-2-8(17)9(18)4-11(6)22-15/h2-5,17-19H,1H3
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1.37E+5n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096617
PNG
(CHEMBL3577277)
Show SMILES NC(=O)Cn1c2C[C@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1/C15H15BrN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/s2
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1.58E+5n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096641
PNG
(CHEMBL3277053)
Show SMILES OC(=O)C1CCc2c(C1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1/C13H12ClNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)
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1.66E+5n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096610
PNG
(CHEMBL3577286)
Show SMILES NC(=O)CN1CCC(CC1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1/C22H27BrN4O4/c23-14-2-4-18-17(10-14)16-3-1-13(22(30)31)9-19(16)27(18)12-21(29)25-15-5-7-26(8-6-15)11-20(24)28/h2,4,10,13,15H,1,3,5-9,11-12H2,(H2,24,28)(H,25,29)(H,30,31)/t13-/s2
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1.71E+5n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096633
PNG
(CHEMBL3577273)
Show SMILES OC(=O)[C@H]1CCc2c(C1)[nH]c1ccc(Br)cc21
Show InChI InChI=1/C13H12BrNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/s2
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1.82E+5n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
BDBM50160348
PNG
(4-[2-(3,4-Dichloro-benzylamino)-6-oxo-1,6-dihydro-...)
Show SMILES CCOC(=O)CCCn1cnc2c1nc(NCc1ccc(Cl)c(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C18H19Cl2N5O3/c1-2-28-14(26)4-3-7-25-10-22-15-16(25)23-18(24-17(15)27)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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>1.89E+5n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Citation and Details
More data for this
Ligand-Target Pair
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