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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'yoo' and Initial = 'sj'   
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
Glucan 1,4-alpha-glucosidase


(Shiitake mushroom)
BDBM546721
PNG
(US11292789, MDPX-V2021)
Show SMILES COc1ccc(c(COC(C)(C)C)c1)-n1cnc2ccc(OC)cc2c1=O
UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 65n/an/an/an/an/an/a


TBA

Assay Description
Using the samples prepared according to Example 1 and Comparative Examples 2 and 3, inhibitory activity against α-glucosidase was evaluated to a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78JDW
More data for this
Ligand-Target Pair
Glucan 1,4-alpha-glucosidase


(Shiitake mushroom)
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
UniProtKB/TrEMBL

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PDB
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US Patent
n/an/a 126n/an/an/an/an/an/a


TBA

Assay Description
Using the samples prepared according to Example 1 and Comparative Examples 2 and 3, inhibitory activity against α-glucosidase was evaluated to a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78JDW
More data for this
Ligand-Target Pair
Glucan 1,4-alpha-glucosidase


(Shiitake mushroom)
BDBM50049572
PNG
(1,3-benzodiazine | 1,3-diazanaphthalene | 5,6-benz...)
Show SMILES c1ccc2ncncc2c1
Show InChI InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H
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CHEMBL
MCE
MMDB
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PC sid
PDB
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US Patent
n/an/a 278n/an/an/an/an/an/a


TBA

Assay Description
Using the samples prepared according to Example 1 and Comparative Examples 2 and 3, inhibitory activity against α-glucosidase was evaluated to a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78JDW
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
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 |c:19|
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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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 (Human))
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 |r,t:13|
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 (Human))
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 |c:13|
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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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 (Human))
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 |c:17|
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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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