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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Uracil-DNA glycosylase (UNG)' AND taxid = 9606   
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
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM36456
PNG
(6-[3-(Aminooxypropylamino)methyl]uracil, dihydroch...)
Show SMILES NOCCCNCc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C8H14N4O3/c9-15-3-1-2-10-5-6-4-7(13)12-8(14)11-6/h4,10H,1-3,5,9H2,(H2,11,12,13,14)
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KEGG

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7.00E+5n/an/an/an/an/an/a8.0n/a



Johns Hopkins University



Assay Description
Inhibition of human uracil DNA glycosylase using high-throughput fluorescent molecular beacon DNA substrate.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM36457
PNG
(3-[(3-Aminopropoxyimino)methyl]uracil, hydrochlori...)
Show SMILES NCCCO\N=C\c1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C8H12N4O3/c9-2-1-3-15-10-5-6-4-7(13)12-8(14)11-6/h4-5H,1-3,9H2,(H2,11,12,13,14)/b10-5+
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7.50E+5n/an/an/an/an/an/a8.0n/a



Johns Hopkins University



Assay Description
Inhibition of human uracil DNA glycosylase using high-throughput fluorescent molecular beacon DNA substrate.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM36453
PNG
(6-[3-[(3-Carboxy-benzylidene)aminooxypropylamino]-...)
Show SMILES OC(=O)c1cccc(\C=N\OCCCNCc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C16H18N4O5/c21-14-8-13(19-16(24)20-14)10-17-5-2-6-25-18-9-11-3-1-4-12(7-11)15(22)23/h1,3-4,7-9,17H,2,5-6,10H2,(H,22,23)(H2,19,20,21,24)/b18-9+
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n/an/a 1.30E+3n/an/an/an/a8.0n/a



Johns Hopkins University



Assay Description
Inhibition of human uracil DNA glycosylase using high-throughput fluorescent molecular beacon DNA substrate.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078333
PNG
(6-(4-Octyl-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES CCCCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C18H25N3O2/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-16-13-17(22)21-18(23)20-16/h9-13H,2-8H2,1H3,(H3,19,20,21,22,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 Uracil-DNA glycosylase


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078341
PNG
(1-(2-Hydroxy-ethyl)-6-(4-octyl-phenylamino)-1H-pyr...)
Show SMILES CCCCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCO)cc1
Show InChI InChI=1S/C20H29N3O3/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)21-18-15-19(25)22-20(26)23(18)13-14-24/h9-12,15,21,24H,2-8,13-14H2,1H3,(H,22,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 Uracil-DNA glycosylase


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078334
PNG
(1-(2-Methoxy-ethyl)-6-(4-octyl-phenylamino)-1H-pyr...)
Show SMILES CCCCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCOC)cc1
Show InChI InChI=1S/C21H31N3O3/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)22-19-16-20(25)23-21(26)24(19)14-15-27-2/h10-13,16,22H,3-9,14-15H2,1-2H3,(H,23,25,26)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 Uracil-DNA glycosylase


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078336
PNG
(6-(4-Hexyl-phenylamino)-1-(2-hydroxy-ethyl)-1H-pyr...)
Show SMILES CCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCO)cc1
Show InChI InChI=1S/C18H25N3O3/c1-2-3-4-5-6-14-7-9-15(10-8-14)19-16-13-17(23)20-18(24)21(16)11-12-22/h7-10,13,19,22H,2-6,11-12H2,1H3,(H,20,23,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 UDG (Herpes Simplex virus type-I Uracil DNA glycosylase)


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078338
PNG
(6-(4-Octyloxy-phenylamino)-1H-pyrimidine-2,4-dione...)
Show SMILES CCCCCCCCOc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C18H25N3O3/c1-2-3-4-5-6-7-12-24-15-10-8-14(9-11-15)19-16-13-17(22)21-18(23)20-16/h8-11,13H,2-7,12H2,1H3,(H3,19,20,21,22,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 Uracil-DNA glycosylase


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078339
PNG
(6-(4-Hexyloxy-phenylamino)-1H-pyrimidine-2,4-dione...)
Show SMILES CCCCCCOc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C16H21N3O3/c1-2-3-4-5-10-22-13-8-6-12(7-9-13)17-14-11-15(20)19-16(21)18-14/h6-9,11H,2-5,10H2,1H3,(H3,17,18,19,20,21)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 UDG (Herpes Simplex virus type-I Uracil DNA glycosylase)


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078340
PNG
(6-(4-Hexyl-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES CCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C16H21N3O2/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-14-11-15(20)19-16(21)18-14/h7-11H,2-6H2,1H3,(H3,17,18,19,20,21)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 UDG (Herpes Simplex virus type-I Uracil DNA glycosylase)


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078335
PNG
(6-(4-Decyl-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES CCCCCCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C20H29N3O2/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)21-18-15-19(24)23-20(25)22-18/h11-15H,2-10H2,1H3,(H3,21,22,23,24,25)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 Uracil-DNA glycosylase


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM36452
PNG
(6-[[(3-Carboxy-benzylidene)-aminooxy]ethoxyimino]m...)
Show SMILES OC(=O)c1cccc(\C=N\OCCO\N=C\c2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-5-4-24-16-8-10-2-1-3-11(6-10)14(21)22/h1-3,6-9H,4-5H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+
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n/an/a 4.00E+4n/an/an/an/a8.0n/a



Johns Hopkins University



Assay Description
Inhibition of human uracil DNA glycosylase using high-throughput fluorescent molecular beacon DNA substrate.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078342
PNG
(6-(4-Hexyl-phenylamino)-1-(3-hydroxy-propyl)-1H-py...)
Show SMILES CCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCCO)cc1
Show InChI InChI=1S/C19H27N3O3/c1-2-3-4-5-7-15-8-10-16(11-9-15)20-17-14-18(24)21-19(25)22(17)12-6-13-23/h8-11,14,20,23H,2-7,12-13H2,1H3,(H,21,24,25)
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 UDG (Herpes Simplex virus type-I Uracil DNA glycosylase)


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078343
PNG
(6-(4-Hexyl-phenylamino)-1-(3-methoxy-propyl)-1H-py...)
Show SMILES CCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCCOC)cc1
Show InChI InChI=1S/C20H29N3O3/c1-3-4-5-6-8-16-9-11-17(12-10-16)21-18-15-19(24)22-20(25)23(18)13-7-14-26-2/h9-12,15,21H,3-8,13-14H2,1-2H3,(H,22,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 UDG (Herpes Simplex virus type-I Uracil DNA glycosylase)


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078337
PNG
(6-(4-Hexyl-phenylamino)-1-(2-methoxy-ethyl)-1H-pyr...)
Show SMILES CCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCOC)cc1
Show InChI InChI=1S/C19H27N3O3/c1-3-4-5-6-7-15-8-10-16(11-9-15)20-17-14-18(23)21-19(24)22(17)12-13-25-2/h8-11,14,20H,3-7,12-13H2,1-2H3,(H,21,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 UDG (Herpes Simplex virus type-I Uracil DNA glycosylase)


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM36454
PNG
(6-[[3-(3-Carboxybenzyl)aminopropylimino]methyl]ura...)
Show SMILES OC(=O)c1cccc(CNCCCO\N=C\c2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C16H18N4O5/c21-14-8-13(19-16(24)20-14)10-18-25-6-2-5-17-9-11-3-1-4-12(7-11)15(22)23/h1,3-4,7-8,10,17H,2,5-6,9H2,(H,22,23)(H2,19,20,21,24)/b18-10+
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n/an/a 1.00E+5n/an/an/an/a8.0n/a



Johns Hopkins University



Assay Description
Inhibition of human uracil DNA glycosylase using high-throughput fluorescent molecular beacon DNA substrate.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50028333
PNG
(6-(4-Butyl-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES CCCCc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H17N3O2/c1-2-3-4-10-5-7-11(8-6-10)15-12-9-13(18)17-14(19)16-12/h5-9H,2-4H2,1H3,(H3,15,16,17,18,19)
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 UDG (Herpes Simplex virus type-I Uracil DNA glycosylase)


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50078344
PNG
(6-(4-Octyl-phenoxy)-1H-pyrimidine-2,4-dione | CHEM...)
Show SMILES CCCCCCCCc1ccc(Oc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C18H24N2O3/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)23-17-13-16(21)19-18(22)20-17/h9-13H,2-8H2,1H3,(H2,19,20,21,22)
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 Uracil-DNA glycosylase


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM36455
PNG
(6-[4-[(3-Carboxybenzylamino)butylamino]methyl]urac...)
Show SMILES OC(=O)c1cccc(CNCCCCNCc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C17H22N4O4/c22-15-9-14(20-17(25)21-15)11-19-7-2-1-6-18-10-12-4-3-5-13(8-12)16(23)24/h3-5,8-9,18-19H,1-2,6-7,10-11H2,(H,23,24)(H2,20,21,22,25)
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n/an/a 3.15E+5n/an/an/an/a8.0n/a



Johns Hopkins University



Assay Description
Inhibition of human uracil DNA glycosylase using high-throughput fluorescent molecular beacon DNA substrate.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM50028325
PNG
(6-(4-Ethyl-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES CCc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H13N3O2/c1-2-8-3-5-9(6-4-8)13-10-7-11(16)15-12(17)14-10/h3-7H,2H2,1H3,(H3,13,14,15,16,17)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical Center

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against HSV-1 UDG (Herpes Simplex virus type-I Uracil DNA glycosylase)


Citation and Details
More data for this
Ligand-Target Pair