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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with Target = '2'-deoxynucleoside 5'-phosphate N-hydrolase 1'   
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
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056954
PNG
(CHEMBL3331381)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccc(c1)-c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H25N4O8P/c1-37-20-8-7-17-9-16(5-6-18(17)11-20)15-3-2-4-19(10-15)22-23-26(29-13-28-22)31(14-30-23)27-25(33)24(32)21(39-27)12-38-40(34,35)36/h2-11,13-14,21,24-25,27,32-33H,12H2,1H3,(H2,34,35,36)/t21-,24-,25-,27-/m1/s1
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500n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056968
PNG
(CHEMBL3331365)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H21N4O7P/c27-19-16(10-32-34(29,30)31)33-22(20(19)28)26-12-25-18-17(23-11-24-21(18)26)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12,16,19-20,22,27-28H,10H2,(H2,29,30,31)/t16-,19-,20-,22-/m1/s1
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500n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056950
PNG
(CHEMBL3331377)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C18H18N5O7P/c24-15-12(6-29-31(26,27)28)30-18(16(15)25)23-8-22-14-13(20-7-21-17(14)23)10-2-1-9-3-4-19-11(9)5-10/h1-5,7-8,12,15-16,18-19,24-25H,6H2,(H2,26,27,28)/t12-,15-,16-,18-/m1/s1
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900n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056952
PNG
(CHEMBL3331379)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(Br)c1 |r|
Show InChI InChI=1S/C16H16BrN4O7P/c17-9-3-1-2-8(4-9)11-12-15(19-6-18-11)21(7-20-12)16-14(23)13(22)10(28-16)5-27-29(24,25)26/h1-4,6-7,10,13-14,16,22-23H,5H2,(H2,24,25,26)/t10-,13-,14-,16-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056968
PNG
(CHEMBL3331365)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H21N4O7P/c27-19-16(10-32-34(29,30)31)33-22(20(19)28)26-12-25-18-17(23-11-24-21(18)26)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12,16,19-20,22,27-28H,10H2,(H2,29,30,31)/t16-,19-,20-,22-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056957
PNG
(CHEMBL3331375)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C14H14ClN4O7PS/c15-8-2-1-7(28-8)9-10-13(17-4-16-9)19(5-18-10)14-12(21)11(20)6(26-14)3-25-27(22,23)24/h1-2,4-6,11-12,14,20-21H,3H2,(H2,22,23,24)/t6-,11-,12-,14-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056955
PNG
(CHEMBL3356090)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1cccc2c3ccccc3sc12 |r|
Show InChI InChI=1S/C28H23N4O7PS/c33-24-20(12-38-40(35,36)37)39-28(25(24)34)32-14-31-23-22(29-13-30-27(23)32)16-6-3-5-15(11-16)17-8-4-9-19-18-7-1-2-10-21(18)41-26(17)19/h1-11,13-14,20,24-25,28,33-34H,12H2,(H2,35,36,37)/t20-,24-,25-,28-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056967
PNG
(CHEMBL3331366)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccccc1 |r|
Show InChI InChI=1S/C16H17N4O7P/c21-13-10(6-26-28(23,24)25)27-16(14(13)22)20-8-19-12-11(17-7-18-15(12)20)9-4-2-1-3-5-9/h1-5,7-8,10,13-14,16,21-22H,6H2,(H2,23,24,25)/t10-,13-,14-,16-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056957
PNG
(CHEMBL3331375)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C14H14ClN4O7PS/c15-8-2-1-7(28-8)9-10-13(17-4-16-9)19(5-18-10)14-12(21)11(20)6(26-14)3-25-27(22,23)24/h1-2,4-6,11-12,14,20-21H,3H2,(H2,22,23,24)/t6-,11-,12-,14-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056952
PNG
(CHEMBL3331379)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(Br)c1 |r|
Show InChI InChI=1S/C16H16BrN4O7P/c17-9-3-1-2-8(4-9)11-12-15(19-6-18-11)21(7-20-12)16-14(23)13(22)10(28-16)5-27-29(24,25)26/h1-4,6-7,10,13-14,16,22-23H,5H2,(H2,24,25,26)/t10-,13-,14-,16-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056961
PNG
(CHEMBL3331371)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C16H17N4O8P/c21-9-3-1-8(2-4-9)11-12-15(18-6-17-11)20(7-19-12)16-14(23)13(22)10(28-16)5-27-29(24,25)26/h1-4,6-7,10,13-14,16,21-23H,5H2,(H2,24,25,26)/t10-,13-,14-,16-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056971
PNG
(CHEMBL3331362)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H19N4O7P/c25-17-14(8-30-32(27,28)29)31-20(18(17)26)24-10-23-16-15(21-9-22-19(16)24)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,14,17-18,20,25-26H,8H2,(H2,27,28,29)/t14-,17-,18-,20-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056967
PNG
(CHEMBL3331366)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccccc1 |r|
Show InChI InChI=1S/C16H17N4O7P/c21-13-10(6-26-28(23,24)25)27-16(14(13)22)20-8-19-12-11(17-7-18-15(12)20)9-4-2-1-3-5-9/h1-5,7-8,10,13-14,16,21-22H,6H2,(H2,23,24,25)/t10-,13-,14-,16-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056953
PNG
(CHEMBL3331380)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21N4O9P/c28-19-16(9-35-37(32,33)34)36-22(20(19)29)27-11-26-18-17(24-10-25-21(18)27)15-3-1-2-14(8-15)12-4-6-13(7-5-12)23(30)31/h1-8,10-11,16,19-20,22,28-29H,9H2,(H,30,31)(H2,32,33,34)/t16-,19-,20-,22-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056961
PNG
(CHEMBL3331371)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C16H17N4O8P/c21-9-3-1-8(2-4-9)11-12-15(18-6-17-11)20(7-19-12)16-14(23)13(22)10(28-16)5-27-29(24,25)26/h1-4,6-7,10,13-14,16,21-23H,5H2,(H2,24,25,26)/t10-,13-,14-,16-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056951
PNG
(CHEMBL3331378)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cncc(Br)c1 |r|
Show InChI InChI=1S/C15H15BrN5O7P/c16-8-1-7(2-17-3-8)10-11-14(19-5-18-10)21(6-20-11)15-13(23)12(22)9(28-15)4-27-29(24,25)26/h1-3,5-6,9,12-13,15,22-23H,4H2,(H2,24,25,26)/t9-,12-,13-,15-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056954
PNG
(CHEMBL3331381)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccc(c1)-c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H25N4O8P/c1-37-20-8-7-17-9-16(5-6-18(17)11-20)15-3-2-4-19(10-15)22-23-26(29-13-28-22)31(14-30-23)27-25(33)24(32)21(39-27)12-38-40(34,35)36/h2-11,13-14,21,24-25,27,32-33H,12H2,1H3,(H2,34,35,36)/t21-,24-,25-,27-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056960
PNG
(CHEMBL3331372)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(NC(=O)CCC(O)=O)cc1 |r|
Show InChI InChI=1S/C20H22N5O10P/c26-13(5-6-14(27)28)24-11-3-1-10(2-4-11)15-16-19(22-8-21-15)25(9-23-16)20-18(30)17(29)12(35-20)7-34-36(31,32)33/h1-4,8-9,12,17-18,20,29-30H,5-7H2,(H,24,26)(H,27,28)(H2,31,32,33)/t12-,17-,18-,20-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056959
PNG
(CHEMBL3331373)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccoc1 |r|
Show InChI InChI=1S/C14H15N4O8P/c19-11-8(4-25-27(21,22)23)26-14(12(11)20)18-6-17-10-9(7-1-2-24-3-7)15-5-16-13(10)18/h1-3,5-6,8,11-12,14,19-20H,4H2,(H2,21,22,23)/t8-,11-,12-,14-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056959
PNG
(CHEMBL3331373)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccoc1 |r|
Show InChI InChI=1S/C14H15N4O8P/c19-11-8(4-25-27(21,22)23)26-14(12(11)20)18-6-17-10-9(7-1-2-24-3-7)15-5-16-13(10)18/h1-3,5-6,8,11-12,14,19-20H,4H2,(H2,21,22,23)/t8-,11-,12-,14-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056973
PNG
(CHEMBL519155 | NSC-255523)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C17H20N5O7P/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056973
PNG
(CHEMBL519155 | NSC-255523)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C17H20N5O7P/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056965
PNG
(CHEMBL3331368)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C17H16N5O7P/c18-5-9-1-3-10(4-2-9)12-13-16(20-7-19-12)22(8-21-13)17-15(24)14(23)11(29-17)6-28-30(25,26)27/h1-4,7-8,11,14-15,17,23-24H,6H2,(H2,25,26,27)/t11-,14-,15-,17-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056955
PNG
(CHEMBL3356090)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1cccc2c3ccccc3sc12 |r|
Show InChI InChI=1S/C28H23N4O7PS/c33-24-20(12-38-40(35,36)37)39-28(25(24)34)32-14-31-23-22(29-13-30-27(23)32)16-6-3-5-15(11-16)17-8-4-9-19-18-7-1-2-10-21(18)41-26(17)19/h1-11,13-14,20,24-25,28,33-34H,12H2,(H2,35,36,37)/t20-,24-,25-,28-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056966
PNG
(CHEMBL3331367)
Show SMILES COC(=O)c1cccc(c1)-c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H19N4O9P/c1-29-18(25)10-4-2-3-9(5-10)12-13-16(20-7-19-12)22(8-21-13)17-15(24)14(23)11(31-17)6-30-32(26,27)28/h2-5,7-8,11,14-15,17,23-24H,6H2,1H3,(H2,26,27,28)/t11-,14-,15-,17-/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056950
PNG
(CHEMBL3331377)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C18H18N5O7P/c24-15-12(6-29-31(26,27)28)30-18(16(15)25)23-8-22-14-13(20-7-21-17(14)23)10-2-1-9-3-4-19-11(9)5-10/h1-5,7-8,12,15-16,18-19,24-25H,6H2,(H2,26,27,28)/t12-,15-,16-,18-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056962
PNG
(CHEMBL3331370)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C17H17N4O9P/c22-13-10(5-29-31(26,27)28)30-16(14(13)23)21-7-20-12-11(18-6-19-15(12)21)8-1-3-9(4-2-8)17(24)25/h1-4,6-7,10,13-14,16,22-23H,5H2,(H,24,25)(H2,26,27,28)/t10-,13-,14-,16-/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056971
PNG
(CHEMBL3331362)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H19N4O7P/c25-17-14(8-30-32(27,28)29)31-20(18(17)26)24-10-23-16-15(21-9-22-19(16)24)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,14,17-18,20,25-26H,8H2,(H2,27,28,29)/t14-,17-,18-,20-/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056956
PNG
(CHEMBL3329986)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)C(O)=O |r|
Show InChI InChI=1S/C17H17N4O9P/c22-13-10(5-29-31(26,27)28)30-16(14(13)23)21-7-20-12-11(18-6-19-15(12)21)8-2-1-3-9(4-8)17(24)25/h1-4,6-7,10,13-14,16,22-23H,5H2,(H,24,25)(H2,26,27,28)/t10-,13-,14-,16-/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056953
PNG
(CHEMBL3331380)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21N4O9P/c28-19-16(9-35-37(32,33)34)36-22(20(19)29)27-11-26-18-17(24-10-25-21(18)27)15-3-1-2-14(8-15)12-4-6-13(7-5-12)23(30)31/h1-8,10-11,16,19-20,22,28-29H,9H2,(H,30,31)(H2,32,33,34)/t16-,19-,20-,22-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056960
PNG
(CHEMBL3331372)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(NC(=O)CCC(O)=O)cc1 |r|
Show InChI InChI=1S/C20H22N5O10P/c26-13(5-6-14(27)28)24-11-3-1-10(2-4-11)15-16-19(22-8-21-15)25(9-23-16)20-18(30)17(29)12(35-20)7-34-36(31,32)33/h1-4,8-9,12,17-18,20,29-30H,5-7H2,(H,24,26)(H,27,28)(H2,31,32,33)/t12-,17-,18-,20-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056958
PNG
(CHEMBL3331374)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(C=O)o1 |r|
Show InChI InChI=1S/C15H15N4O9P/c20-3-7-1-2-8(27-7)10-11-14(17-5-16-10)19(6-18-11)15-13(22)12(21)9(28-15)4-26-29(23,24)25/h1-3,5-6,9,12-13,15,21-22H,4H2,(H2,23,24,25)/t9-,12-,13-,15-/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056951
PNG
(CHEMBL3331378)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cncc(Br)c1 |r|
Show InChI InChI=1S/C15H15BrN5O7P/c16-8-1-7(2-17-3-8)10-11-14(19-5-18-10)21(6-20-11)15-13(23)12(22)9(28-15)4-27-29(24,25)26/h1-3,5-6,9,12-13,15,22-23H,4H2,(H2,24,25,26)/t9-,12-,13-,15-/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056970
PNG
(CHEMBL3331363)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C17H16N5O7P/c18-5-9-2-1-3-10(4-9)12-13-16(20-7-19-12)22(8-21-13)17-15(24)14(23)11(29-17)6-28-30(25,26)27/h1-4,7-8,11,14-15,17,23-24H,6H2,(H2,25,26,27)/t11-,14-,15-,17-/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056964
PNG
(CHEMBL3331369)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C16H16N5O9P/c22-13-10(5-29-31(26,27)28)30-16(14(13)23)20-7-19-12-11(17-6-18-15(12)20)8-2-1-3-9(4-8)21(24)25/h1-4,6-7,10,13-14,16,22-23H,5H2,(H2,26,27,28)/t10-,13-,14-,16-/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056965
PNG
(CHEMBL3331368)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C17H16N5O7P/c18-5-9-1-3-10(4-2-9)12-13-16(20-7-19-12)22(8-21-13)17-15(24)14(23)11(29-17)6-28-30(25,26)27/h1-4,7-8,11,14-15,17,23-24H,6H2,(H2,25,26,27)/t11-,14-,15-,17-/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056966
PNG
(CHEMBL3331367)
Show SMILES COC(=O)c1cccc(c1)-c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H19N4O9P/c1-29-18(25)10-4-2-3-9(5-10)12-13-16(20-7-19-12)22(8-21-13)17-15(24)14(23)11(31-17)6-30-32(26,27)28/h2-5,7-8,11,14-15,17,23-24H,6H2,1H3,(H2,26,27,28)/t11-,14-,15-,17-/m1/s1
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4.80E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056964
PNG
(CHEMBL3331369)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C16H16N5O9P/c22-13-10(5-29-31(26,27)28)30-16(14(13)23)20-7-19-12-11(17-6-18-15(12)20)8-2-1-3-9(4-8)21(24)25/h1-4,6-7,10,13-14,16,22-23H,5H2,(H2,26,27,28)/t10-,13-,14-,16-/m1/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056956
PNG
(CHEMBL3329986)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)C(O)=O |r|
Show InChI InChI=1S/C17H17N4O9P/c22-13-10(5-29-31(26,27)28)30-16(14(13)23)21-7-20-12-11(18-6-19-15(12)21)8-2-1-3-9(4-8)17(24)25/h1-4,6-7,10,13-14,16,22-23H,5H2,(H,24,25)(H2,26,27,28)/t10-,13-,14-,16-/m1/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056958
PNG
(CHEMBL3331374)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(C=O)o1 |r|
Show InChI InChI=1S/C15H15N4O9P/c20-3-7-1-2-8(27-7)10-11-14(17-5-16-10)19(6-18-11)15-13(22)12(21)9(28-15)4-26-29(23,24)25/h1-3,5-6,9,12-13,15,21-22H,4H2,(H2,23,24,25)/t9-,12-,13-,15-/m1/s1
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5.90E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056962
PNG
(CHEMBL3331370)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C17H17N4O9P/c22-13-10(5-29-31(26,27)28)30-16(14(13)23)21-7-20-12-11(18-6-19-15(12)21)8-1-3-9(4-2-8)17(24)25/h1-4,6-7,10,13-14,16,22-23H,5H2,(H,24,25)(H2,26,27,28)/t10-,13-,14-,16-/m1/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056972
PNG
(CHEMBL3331361)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C16H18N5O7P/c22-12-10(6-27-29(24,25)26)28-16(13(12)23)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,17,18,20)(H2,24,25,26)/t10-,12-,13-,16-/m1/s1
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1.06E+4n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056972
PNG
(CHEMBL3331361)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C16H18N5O7P/c22-12-10(6-27-29(24,25)26)28-16(13(12)23)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,17,18,20)(H2,24,25,26)/t10-,12-,13-,16-/m1/s1
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1.12E+4n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056910
PNG
(CHEMBL3331376)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C19H18N5O7P/c25-16-12(7-30-32(27,28)29)31-19(17(16)26)24-9-23-15-14(21-8-22-18(15)24)11-5-1-3-10-4-2-6-20-13(10)11/h1-6,8-9,12,16-17,19,25-26H,7H2,(H2,27,28,29)/t12-,16-,17-,19-/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056970
PNG
(CHEMBL3331363)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C17H16N5O7P/c18-5-9-2-1-3-10(4-9)12-13-16(20-7-19-12)22(8-21-13)17-15(24)14(23)11(29-17)6-28-30(25,26)27/h1-4,7-8,11,14-15,17,23-24H,6H2,(H2,25,26,27)/t11-,14-,15-,17-/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM92542
PNG
(5'-AMPS)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])([O-])=S)C(O)C1O
Show InChI InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(21-10)1-20-22(18,19)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/p-2
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1.40E+4n/an/an/an/an/an/an/an/a



Institut Pasteur



Assay Description
Rcl inhibition by nucleotides.


J Biol Chem 285: 41806-14 (2010)


Article DOI: 10.1074/jbc.M110.181594
BindingDB Entry DOI: 10.7270/Q2DF6PT4
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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1.92E+4n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM92537
PNG
(GMP)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP([O-])([O-])=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2
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2.00E+4n/an/an/an/an/an/an/an/a



Institut Pasteur



Assay Description
Rcl inhibition by nucleotides.


J Biol Chem 285: 41806-14 (2010)


Article DOI: 10.1074/jbc.M110.181594
BindingDB Entry DOI: 10.7270/Q2DF6PT4
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056910
PNG
(CHEMBL3331376)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C19H18N5O7P/c25-16-12(7-30-32(27,28)29)31-19(17(16)26)24-9-23-15-14(21-8-22-18(15)24)11-5-1-3-10-4-2-6-20-13(10)11/h1-6,8-9,12,16-17,19,25-26H,7H2,(H2,27,28,29)/t12-,16-,17-,19-/m1/s1
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2.59E+4n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM92538
PNG
(AMP | [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])([O-])=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2
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4.00E+4n/an/an/an/an/an/an/an/a



Institut Pasteur



Assay Description
Rcl inhibition by nucleotides.


J Biol Chem 285: 41806-14 (2010)


Article DOI: 10.1074/jbc.M110.181594
BindingDB Entry DOI: 10.7270/Q2DF6PT4
More data for this
Ligand-Target Pair
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