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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'maragozidis' and Initial = 'p'   
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
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
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
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