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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Angiogenin' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Angiogenin


(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
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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Article
PubMed
3.60E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human angiogenin


Citation and Details
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
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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PubMed
3.60E+5n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of ANG


Citation and Details
More data for this
Ligand-Target Pair
Angiogenin


(Homo sapiens (Human))
BDBM111444
PNG
(Ser-aT (Compound 2))
Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(N)CO)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H20N4O6/c1-6-3-17(13(22)16-11(6)20)10-2-8(9(5-19)23-10)15-12(21)7(14)4-18/h3,7-10,18-19H,2,4-5,14H2,1H3,(H,15,21)(H,16,20,22)/t7?,8-,9-,10-/m1/s1
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4.27E+5n/an/an/an/an/an/an/an/a



SASTRA University, Thanjavur, Tamil Nadu 613401, India



Assay Description
The assay was carried out in oligovinylsulfonic acid free 0.1 M Mes-NaOH buffer (pH 6.0) containing 0.1 M NaCl using substrate concentration from 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Angiogenin


(Homo sapiens (Human))
BDBM111446
PNG
(N-[2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihyd...)
Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H15N3O7/c1-5-3-15(12(21)14-9(5)17)8-2-6(7(4-16)22-8)13-10(18)11(19)20/h3,6-8,16H,2,4H2,1H3,(H,13,18)(H,19,20)(H,14,17,21)/t6-,7-,8-/m1/s1
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PubMed
7.75E+5n/an/an/an/an/an/an/an/a



SASTRA University, Thanjavur, Tamil Nadu 613401, India



Assay Description
The assay was carried out in oligovinylsulfonic acid free 0.1 M Mes-NaOH buffer (pH 6.0) containing 0.1 M NaCl using substrate concentration from 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Angiogenin


(Homo sapiens (Human))
BDBM111447
PNG
(N-[2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihyd...)
Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)CC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H17N3O7/c1-6-4-16(13(22)15-12(6)21)10-2-7(8(5-17)23-10)14-9(18)3-11(19)20/h4,7-8,10,17H,2-3,5H2,1H3,(H,14,18)(H,19,20)(H,15,21,22)/t7-,8-,10-/m1/s1
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PubMed
1.11E+6n/an/an/an/an/an/an/an/a



SASTRA University, Thanjavur, Tamil Nadu 613401, India



Assay Description
The assay was carried out in oligovinylsulfonic acid free 0.1 M Mes-NaOH buffer (pH 6.0) containing 0.1 M NaCl using substrate concentration from 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Angiogenin


(Homo sapiens (Human))
BDBM111445
PNG
(Tyr-aT (Compound 3))
Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(N)Cc3ccc(O)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H24N4O6/c1-10-8-23(19(28)22-17(10)26)16-7-14(15(9-24)29-16)21-18(27)13(20)6-11-2-4-12(25)5-3-11/h2-5,8,13-16,24-25H,6-7,9,20H2,1H3,(H,21,27)(H,22,26,28)/t13?,14-,15-,16-/m1/s1
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PubMed
1.25E+6n/an/an/an/an/an/an/an/a



SASTRA University, Thanjavur, Tamil Nadu 613401, India



Assay Description
The assay was carried out in oligovinylsulfonic acid free 0.1 M Mes-NaOH buffer (pH 6.0) containing 0.1 M NaCl using substrate concentration from 20 ...


Citation and Details
More data for this
Ligand-Target Pair