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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'balatsos' and Initial = 'na'   
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
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50402338
PNG
(CHEMBL401150)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(O)=O)n2ccc(=O)[nH]c2=O)[C@@H](OP(O)(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of RNase A


Bioorg Med Chem 20: 7184-93 (2012)


Article DOI: 10.1016/j.bmc.2012.09.067
BindingDB Entry DOI: 10.7270/Q2M61MDG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM50402338
PNG
(CHEMBL401150)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(O)=O)n2ccc(=O)[nH]c2=O)[C@@H](OP(O)(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
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180n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of EDN


Bioorg Med Chem 20: 7184-93 (2012)


Article DOI: 10.1016/j.bmc.2012.09.067
BindingDB Entry DOI: 10.7270/Q2M61MDG
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50402337
PNG
(CHEMBL2206660)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Cn2ccc(=O)[nH]c2=O)nn1 |r|
Show InChI InChI=1S/C12H15N5O6/c18-5-7-9(20)10(21)11(23-7)17-4-6(14-15-17)3-16-2-1-8(19)13-12(16)22/h1-2,4,7,9-11,18,20-21H,3,5H2,(H,13,19,22)/t7-,9-,10-,11-/m1/s1
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240n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A


Bioorg Med Chem 20: 7184-93 (2012)


Article DOI: 10.1016/j.bmc.2012.09.067
BindingDB Entry DOI: 10.7270/Q2M61MDG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173618
PNG
(1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]c1=O |r|
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PubMed
2.61E+4 -26.6 3.31E+4n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173617
PNG
(1-({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(Cn2cc(F)c(=O)[nH]c2=O)nn1 |r|
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PubMed
4.42E+4 -25.3 6.37E+4n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM173610
PNG
(9-[3'-[4-[(Uracil-1-yl)methyl]-1,2,3-triazol-1...)
Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1n1cc(Cn2ccc(=O)[nH]c2=O)nn1)n1cnc2c(NC(=O)c3ccccc3)ncnc12 |r|
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5.55E+4 -24.7n/an/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173612
PNG
(9-[3'-[4-[(Cytosine-1-yl)methyl]-1,2,3-triazol...)
Show SMILES NC1=NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](C1O)n1cc(Cn2ccc(N)nc2=O)nn1 |r,c:3,8,t:1|
Show InChI InChI=1S/C17H21N11O4/c18-10-1-2-26(17(31)23-10)3-8-4-28(25-24-8)12-9(5-29)32-16(13(12)30)27-7-22-11-14(19)20-6-21-15(11)27/h1-2,4,6-7,9,11-13,15-16,29-30H,3,5H2,(H2,18,23,31)(H2,19,20,21)/t9-,11?,12+,13?,15?,16-/m1/s1
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5.78E+4 -24.6 8.86E+4n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM173614
PNG
(9-[3'-[4-[(Thymine-1-yl)methyl]-1,2,3-triazol-...)
Show SMILES Cc1cn(Cc2cn(nn2)[C@H]2[C@@H](CO)O[C@H](C2O)N2C=NC3C2N=CN=C3N)c(=O)[nH]c1=O |r,c:21,26,28|
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6.88E+4 -24.2n/an/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM173612
PNG
(9-[3'-[4-[(Cytosine-1-yl)methyl]-1,2,3-triazol...)
Show SMILES NC1=NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](C1O)n1cc(Cn2ccc(N)nc2=O)nn1 |r,c:3,8,t:1|
Show InChI InChI=1S/C17H21N11O4/c18-10-1-2-26(17(31)23-10)3-8-4-28(25-24-8)12-9(5-29)32-16(13(12)30)27-7-22-11-14(19)20-6-21-15(11)27/h1-2,4,6-7,9,11-13,15-16,29-30H,3,5H2,(H2,18,23,31)(H2,19,20,21)/t9-,11?,12+,13?,15?,16-/m1/s1
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9.85E+4 -23.3n/an/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM173613
PNG
(9-[3'-[4-[(Uracil-1-yl)methyl]-1,2,3-triazol-1...)
Show SMILES NC1=NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](C1O)n1cc(Cn2ccc(=O)[nH]c2=O)nn1 |r,c:3,8,t:1|
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1.06E+5 -23.1n/an/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173615
PNG
(1-({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(Cn2ccc(=O)[nH]c2=O)nn1 |r|
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1.16E+5 -22.8 1.79E+5n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM173611
PNG
(9-[3'-[4-[(Thymine-1-yl)methyl]-1,2,3-triazol-...)
Show SMILES Cc1cn(Cc2cn(nn2)[C@H]2[C@@H](CO)O[C@H](C2O)n2cnc3c(NC(=O)c4ccccc4)ncnc23)c(=O)[nH]c1=O |r|
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1.50E+5 -22.2n/an/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM173608
PNG
(1-[3'-[4-[(Adenine-9-yl)methyl]-1,2,3-triazol-...)
Show SMILES Nc1ncnc2n(Cc3cn(nn3)[C@H]3[C@@H](CO)O[C@H](C3O)n3ccc(=O)[nH]c3=O)cnc12 |r|
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1.59E+5 -22.0n/an/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173620
PNG
(1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2...)
Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(F)c(=O)[nH]c1=O |r|
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PubMed
2.08E+5 -21.4 2.82E+5n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Poly(A)-specific ribonuclease PARN


(Homo sapiens (Human))
BDBM92910
PNG
(Nucleoside, A6)
Show SMILES OCC1OC(C(O)C(F)C1O)n1ccc(NC(=O)c2ccccc2)nc1=O
Show InChI InChI=1S/C17H18FN3O6/c18-12-13(23)10(8-22)27-16(14(12)24)21-7-6-11(20-17(21)26)19-15(25)9-4-2-1-3-5-9/h1-7,10,12-14,16,22-24H,8H2,(H,19,20,25,26)
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2.10E+5n/an/an/an/an/an/an/an/a



University of Thessaly



Assay Description
The enzymatic activity was determined by the methylene blue assay.


Biochemistry 48: 6044-51 (2009)


Article DOI: 10.1021/bi900236k
BindingDB Entry DOI: 10.7270/Q21V5CJ5
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173611
PNG
(9-[3'-[4-[(Thymine-1-yl)methyl]-1,2,3-triazol-...)
Show SMILES Cc1cn(Cc2cn(nn2)[C@H]2[C@@H](CO)O[C@H](C2O)n2cnc3c(NC(=O)c4ccccc4)ncnc23)c(=O)[nH]c1=O |r|
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2.48E+5 -20.9 3.79E+5n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM173609
PNG
(1-[3'-[4-[(Adenine-9-yl)methyl]-1,2,3-triazol-...)
Show SMILES Nc1ncnc2n(Cc3cn(nn3)[C@H]3[C@@H](CO)O[C@H](C3O)n3cc(F)c(=O)[nH]c3=O)cnc12 |r|
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2.65E+5 -20.8n/an/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173610
PNG
(9-[3'-[4-[(Uracil-1-yl)methyl]-1,2,3-triazol-1...)
Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1n1cc(Cn2ccc(=O)[nH]c2=O)nn1)n1cnc2c(NC(=O)c3ccccc3)ncnc12 |r|
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PubMed
2.67E+5 -20.7 4.09E+5n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Angiogenin


(Homo sapiens (Human))
BDBM50402338
PNG
(CHEMBL401150)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(O)=O)n2ccc(=O)[nH]c2=O)[C@@H](OP(O)(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
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3.60E+5n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of ANG


Bioorg Med Chem 20: 7184-93 (2012)


Article DOI: 10.1016/j.bmc.2012.09.067
BindingDB Entry DOI: 10.7270/Q2M61MDG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173614
PNG
(9-[3'-[4-[(Thymine-1-yl)methyl]-1,2,3-triazol-...)
Show SMILES Cc1cn(Cc2cn(nn2)[C@H]2[C@@H](CO)O[C@H](C2O)N2C=NC3C2N=CN=C3N)c(=O)[nH]c1=O |r,c:21,26,28|
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3.65E+5 -19.9 5.59E+5n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173613
PNG
(9-[3'-[4-[(Uracil-1-yl)methyl]-1,2,3-triazol-1...)
Show SMILES NC1=NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](C1O)n1cc(Cn2ccc(=O)[nH]c2=O)nn1 |r,c:3,8,t:1|
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4.26E+5 -19.6 6.52E+5n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173616
PNG
(5-chloro-1-({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(Cn2cc(Cl)c(=O)[nH]c2=O)nn1 |r|
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4.54E+5 -19.4 5.35E+5n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair
Poly(A)-specific ribonuclease PARN


(Homo sapiens (Human))
BDBM92909
PNG
(Nucleoside, A2)
Show SMILES OC1OC(C(O)C(F)C1O)n1cnc2c(NC(=O)c3ccccc3)ncnc12
Show InChI InChI=1S/C17H16FN5O5/c18-9-11(24)16(28-17(27)12(9)25)23-7-21-10-13(19-6-20-14(10)23)22-15(26)8-4-2-1-3-5-8/h1-7,9,11-12,16-17,24-25,27H,(H,19,20,22,26)
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5.10E+5n/an/an/an/an/an/an/an/a



University of Thessaly



Assay Description
The enzymatic activity was determined by the methylene blue assay.


Biochemistry 48: 6044-51 (2009)


Article DOI: 10.1021/bi900236k
BindingDB Entry DOI: 10.7270/Q21V5CJ5
More data for this
Ligand-Target Pair
Poly(A)-specific ribonuclease PARN


(Homo sapiens (Human))
BDBM92911
PNG
(Nucleoside, C6)
Show SMILES Nc1ccn(C2OC(CO)C(O)C(F)C2O)c(=O)n1
Show InChI InChI=1S/C10H14FN3O5/c11-6-7(16)4(3-15)19-9(8(6)17)14-2-1-5(12)13-10(14)18/h1-2,4,6-9,15-17H,3H2,(H2,12,13,18)
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6.45E+5n/an/an/an/an/an/an/an/a



University of Thessaly



Assay Description
The enzymatic activity was determined by the methylene blue assay.


Biochemistry 48: 6044-51 (2009)


Article DOI: 10.1021/bi900236k
BindingDB Entry DOI: 10.7270/Q21V5CJ5
More data for this
Ligand-Target Pair
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM173619
PNG
(5-chloro-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(Cl)c(=O)[nH]c1=O |r|
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1.08E+6 -17.2 1.46E+6n/an/an/an/an/a30



University of Thessaly



Assay Description
The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...


Bioorg Chem 63: 152-65 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.007
BindingDB Entry DOI: 10.7270/Q27H1HCG
More data for this
Ligand-Target Pair