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PubMed code 15080985

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Adenosylhomocysteinase


(Homo sapiens)
BDBM50144206
PNG
((1S,2R,5S)-5-(6-Amino-purin-9-yl)-4-fluoro-3-hydro...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F
Show InChI InChI=1S/C11H12FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1
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Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against recombinant S-adenosyl-L-homocysteine hydrolase obtained from human placenta


Bioorg Med Chem Lett 14: 2091-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.039
BindingDB Entry DOI: 10.7270/Q2DR2TXQ
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50006222
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
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Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against recombinant S-adenosyl-L-homocysteine hydrolase obtained from human placenta


Bioorg Med Chem Lett 14: 2091-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.039
BindingDB Entry DOI: 10.7270/Q2DR2TXQ
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50006215
PNG
((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6-,8+/m1/s1
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PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against recombinant S-adenosyl-L-homocysteine hydrolase obtained from human placenta


Bioorg Med Chem Lett 14: 2091-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.039
BindingDB Entry DOI: 10.7270/Q2DR2TXQ
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens)
BDBM50144205
PNG
((1S,2R,5S)-5-(6-Amino-purin-9-yl)-4-fluoro-cyclope...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C=C1F
Show InChI InChI=1S/C10H10FN5O2/c11-4-1-5(17)8(18)7(4)16-3-15-6-9(12)13-2-14-10(6)16/h1-3,5,7-8,17-18H,(H2,12,13,14)/t5-,7-,8-/m1/s1
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Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against recombinant S-adenosyl-L-homocysteine hydrolase obtained from human placenta


Bioorg Med Chem Lett 14: 2091-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.039
BindingDB Entry DOI: 10.7270/Q2DR2TXQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%