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PubMed code 10395474

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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
Uracil-DNA glycosylase


(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

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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)

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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)

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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)

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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)

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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)

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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)

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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)

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(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)

J Med Chem 42: 2344-50 (1999)


Article DOI: 10.1021/jm980718d
BindingDB Entry DOI: 10.7270/Q21J98ZQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%