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Compile Data Set for Download or QSAR

Found 13 hits of ki for UniProtKB: P10153   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Eosinophil-derived neurotoxin (EDN)


(Homo sapiens (Human))
BDBM50292713
PNG
(5'-phospho-2'-deoxyuridine 3-pyrophosphate (P'->5'...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1O |r|
Show InChI InChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(30)15(9(4-27)38-18)39-42(34,35)40-41(32,33)36-5-10-8(28)3-12(37-10)25-2-1-11(29)24-19(25)31/h1-2,6-10,12,14-15,18,27-28,30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,29,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
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180n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human EDN


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6+,7?,9-/s2
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2.61E+4 -6.35 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/C12H14FN5O6/c13-6-3-17(12(23)14-10(6)22)1-5-2-18(16-15-5)11-9(21)8(20)7(4-19)24-11/h2-3,7-9,11,19-21H,1,4H2,(H,14,22,23)/t7-,8+,9?,11-/s2
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4.42E+4 -6.04 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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=1/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-/s2
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5.78E+4 -5.87 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/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-/s2
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1.16E+5 -5.45 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6?,8-/s2
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2.08E+5 -5.10 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/C25H24N10O6/c1-13-7-33(25(40)30-22(13)38)8-15-9-35(32-31-15)18-16(10-36)41-24(19(18)37)34-12-28-17-20(26-11-27-21(17)34)29-23(39)14-5-3-2-4-6-14/h2-7,9,11-12,16,18-19,24,36-37H,8,10H2,1H3,(H,30,38,40)(H,26,27,29,39)/t16-,18+,19?,24-/s2
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2.48E+5 -5.00 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/C24H22N10O6/c35-10-15-18(34-9-14(30-31-34)8-32-7-6-16(36)28-24(32)39)19(37)23(40-15)33-12-27-17-20(25-11-26-21(17)33)29-22(38)13-4-2-1-3-5-13/h1-7,9,11-12,15,18-19,23,35,37H,8,10H2,(H,28,36,39)(H,25,26,29,38)/t15-,18+,19?,23-/s2
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2.67E+5 -4.95 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/C18H22N10O5/c1-8-2-26(18(32)23-16(8)31)3-9-4-28(25-24-9)12-10(5-29)33-17(13(12)30)27-7-22-11-14(19)20-6-21-15(11)27/h2,4,6-7,10-13,15,17,29-30H,3,5H2,1H3,(H2,19,20,21)(H,23,31,32)/t10-,11?,12+,13?,15?,17-/s2
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3.65E+5 -4.76 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/C17H20N10O5/c18-14-11-15(20-6-19-14)26(7-21-11)16-13(30)12(9(5-28)32-16)27-4-8(23-24-27)3-25-2-1-10(29)22-17(25)31/h1-2,4,6-7,9,11-13,15-16,28,30H,3,5H2,(H2,18,19,20)(H,22,29,31)/t9-,11?,12+,13?,15?,16-/s2
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4.26E+5 -4.67 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/C12H14ClN5O6/c13-6-3-17(12(23)14-10(6)22)1-5-2-18(16-15-5)11-9(21)8(20)7(4-19)24-11/h2-3,7-9,11,19-21H,1,4H2,(H,14,22,23)/t7-,8+,9?,11-/s2
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4.54E+5 -4.63 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
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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|
Show InChI InChI=1/C9H11ClN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6?,8-/s2
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1.08E+6 -4.11 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
More data for this
Ligand-Target Pair