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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50036658   
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 (Human))
BDBM50369393
PNG
(CHEMBL608312)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](C#CI)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H10IN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h3-5,7-8,11,18-19H,(H2,13,14,15)/t5-,7-,8-,11?/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Kinetic constant calculated from the pseudo-first-order rate constant(k app) for S-adenosyl-homocysteine hydrolase inactivation


J Med Chem 41: 3857-64 (1998)


Article DOI: 10.1021/jm980163m
BindingDB Entry DOI: 10.7270/Q2DR2W64
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50369392
PNG
(CHEMBL608911)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](C#CCl)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H10ClN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h3-5,7-8,11,18-19H,(H2,13,14,15)/t5-,7-,8-,11?/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Kinetic constant calculated from the pseudo-first-order rate constant(k app) for S-adenosyl-homocysteine hydrolase inactivation


J Med Chem 41: 3857-64 (1998)


Article DOI: 10.1021/jm980163m
BindingDB Entry DOI: 10.7270/Q2DR2W64
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50369394
PNG
(CHEMBL608943)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](C#CBr)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H10BrN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h3-5,7-8,11,18-19H,(H2,13,14,15)/t5-,7-,8-,11?/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Kinetic constant calculated from the pseudo-first-order rate constant(k app) for S-adenosyl-homocysteine hydrolase inactivation


J Med Chem 41: 3857-64 (1998)


Article DOI: 10.1021/jm980163m
BindingDB Entry DOI: 10.7270/Q2DR2W64
More data for this
Ligand-Target Pair