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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase IIIE' 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 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 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 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 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 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 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 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)
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)
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 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 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 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 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 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 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 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
DNA polymerase IIIE


(Escherichia coli)
BDBM50160339
PNG
(2-(3,4-Dichloro-benzylamino)-9-(2-ethoxy-ethyl)-1,...)
Show SMILES CCOCCn1cnc2c1nc(NCc1ccc(Cl)c(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C16H17Cl2N5O2/c1-2-25-6-5-23-9-20-13-14(23)21-16(22-15(13)24)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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>2.09E+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 IIIE


(Escherichia coli)
BDBM50160349
PNG
(6-(4-Chloro-3-chloromethyl-benzylamino)-1H-pyrimid...)
Show SMILES ClCc1cc(CNc2cc(=O)[nH]c(=O)[nH]2)ccc1Cl
Show InChI InChI=1S/C12H11Cl2N3O2/c13-5-8-3-7(1-2-9(8)14)6-15-10-4-11(18)17-12(19)16-10/h1-4H,5-6H2,(H3,15,16,17,18,19)
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>2.80E+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 IIIE


(Escherichia coli)
BDBM50077606
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES CCc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C13H15N3O2/c1-3-9-6-10(5-4-8(9)2)14-11-7-12(17)16-13(18)15-11/h4-7H,3H2,1-2H3,(H3,14,15,16,17,18)
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>3.23E+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 IIIE


(Escherichia coli)
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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>4.82E+5>-19.2n/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 ...


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


(Escherichia coli)
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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PubMed
>1.01E+6>-17.4n/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 ...


Citation and Details
More data for this
Ligand-Target Pair